| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.2 | Very low | 56.3 | Low | 246 Ų | 246 | 143.2 Ų | 143.2 | 100% | 1.212 | 71% | 0.714 | S | S | * | * | 0 | 115.8 | 0 | -78.2 | 173.5 | 167 | 0 | 0 | 107.9 | |||||
| 2 | Y | 33.4 | Very low | 58.5 | Low | 210 Ų | 210 | 141 Ų | 141 | 82% | 0.824 | 69% | 0.693 | S | S | * | * | trans | -75.6 | 148 | 168.3 | -69.4 | -90.6 | 0 | 0 | 0 | 109.5 | I4 | Y2-I4 VanDerWaalsContact C-N 3.33Å; Y2-I4 PolarHBondContact O-N 3.28Å | ||
| 3 | G | 32.8 | Very low | 60.4 | Low | 70 Ų | 70 | 133.5 Ų | 133.5 | 72% | 0.722 | 66% | 0.657 | S | S | * | * | trans | -75.5 | 80.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R5 | G3-R5 PolarHBondContact O-N 3.44Š| ||
| 4 | I | 45.1 | Very low | 62 | Low | 127 Ų | 127 | 124.6 Ų | 124.6 | 65% | 0.651 | 61% | 0.613 | S | S | * | * | trans | -62.2 | 102.9 | 175.9 | -56.8 | 174.8 | 0 | 0 | 0 | 108.6 | Y2 L7 | Y2-I4 VanDerWaalsContact C-N 3.33Å; Y2-I4 PolarHBondContact O-N 3.28Å; I4-L7 HydrophobicContact CG2-CD2 3.66Å; I4-L7 HydrophobicContact CG2-CG 3.74Å | ||
| 5 | R | 52.2 | Low | 62.8 | Low | 234 Ų | 234 | 120.8 Ų | 120.8 | 88% | 0.883 | 60% | 0.602 | S | S | * | * | trans | -102.1 | -15.9 | -177.6 | -77.2 | -176 | 177.9 | -166.8 | -0.1 | 114.8 | G3 | G3-R5 PolarHBondContact O-N 3.44Š| ||
| 6 | N | 52.9 | Low | 63.3 | Low | 156 Ų | 156 | 119.7 Ų | 119.7 | 83% | 0.834 | 60% | 0.603 | S | S | * | * | trans | -142.2 | 131.5 | 169.9 | -76.3 | -51.7 | 0 | 0 | 0 | 108.5 | ||||
| 7 | L | 61.3 | Low | 63.8 | Low | 157 Ų | 157 | 119.8 Ų | 119.8 | 82% | 0.822 | 60% | 0.599 | S | S | * | * | trans | -108.9 | 129.7 | 165.8 | -74.8 | 171.5 | 0 | 0 | 0 | 107.7 | I4 | I4-L7 HydrophobicContact CG2-CD2 3.66Å; I4-L7 HydrophobicContact CG2-CG 3.74Å | ||
| 8 | Q | 67.4 | Low | 64.4 | Low | 157 Ų | 157 | 113.9 Ų | 113.9 | 73% | 0.734 | 57% | 0.569 | S | S | * | * | trans | -128.7 | 123.8 | 177.2 | 175.3 | 175.2 | -33.5 | 0 | 0 | 108.9 | ||||
| 9 | L | 77.5 | Confident | 64.8 | Low | 136 Ų | 136 | 110.3 Ų | 110.3 | 71% | 0.712 | 55% | 0.55 | S | S | * | * | trans | -71.3 | 142.1 | 165.8 | -177.8 | 66.3 | 0 | 0 | 0 | 108.9 | Y31 | L9-Y31 WeakPolarHBondContact CB-OH 3.43Å; L9-Y31 WeakPolarHBondContact CG-OH 3.17Å; L9-Y31 PolarHBondContact O-OH 2.99Å | ||
| 10 | T | 79.5 | Confident | 65.1 | Low | 44 Ų | 44 | 109.8 Ų | 109.8 | 27% | 0.27 | 55% | 0.546 | S | S | . | . | trans | -153.7 | 136.6 | -177.1 | -59.4 | 0 | 0 | 0 | 0 | 108.1 | Y12 Q35 | T10-Y12 HydrophobicContact CG2-CD2 3.73Å; T10-Y12 HydrophobicContact CG2-CE2 3.63Å; T10-Y12 PolarHBondContact O-N 3.16Å; T10-Q35 HydrophobicContact CG2-CG 4.39Å | ||
| 11 | I | 83.6 | Confident | 65 | Low | 38 Ų | 38 | 106.4 Ų | 106.4 | 20% | 0.195 | 54% | 0.536 | C | S | . | . | trans | -77.1 | 116.7 | 168.3 | -62.8 | 169.3 | 0 | 0 | 0 | 108.2 | F14 T28 Y31 L32 Q35 | I11-F14 HydrophobicContact CB-CE1 4.48Å; I11-F14 HydrophobicContact CG2-CD1 4.11Å; I11-F14 HydrophobicContact CG2-CE1 3.64Å; I11-F14 HydrophobicContact CG2-CZ 4.05Å; I11-F14 WeakPolarHBondContact O-CZ 3.46Å; I11-T28 HydrophobicContact CD1-CG2 4.02Å; I11-Y31 HydrophobicContact CD1-CD1 3.7Å; I11-Y31 HydrophobicContact CD1-CE1 4.39Å; I11-Y31 HydrophobicContact CG1-CD1 3.96Å; I11-Y31 HydrophobicContact CG1-CE1 4.15Å; I11-L32 HydrophobicContact CB-CD1 4.44Å; I11-L32 HydrophobicContact CD1-CB 3.9Å; I11-L32 HydrophobicContact CD1-CD1 4.37Å; I11-Q35 PolarHBondContact O-NE2 2.86Å | ||
| 12 | Y | 82.2 | Confident | 66.7 | Low | 117 Ų | 117 | 94.8 Ų | 94.8 | 46% | 0.459 | 48% | 0.479 | S | S | . | . | trans | -112.1 | -16.7 | 173.4 | -93.7 | -83.6 | 0 | 0 | 0 | 113.5 | T10 F14 L237 Y241 | T10-Y12 HydrophobicContact CG2-CD2 3.73Å; T10-Y12 HydrophobicContact CG2-CE2 3.63Å; T10-Y12 PolarHBondContact O-N 3.16Å; Y12-F14 WeakPolarHBondContact O-CE2 3.28Å; Y12-L237 HydrophobicContact CD1-CD2 4.23Å; Y12-Y241 PolarHBondContact O-OH 3.11Å; Y12-Y241 VanDerWaalsContact O-OH 3.1Å | ||
| 13 | L | 83.3 | Confident | 68.5 | Low | 43 Ų | 43 | 89.8 Ų | 89.8 | 23% | 0.225 | 46% | 0.458 | C | S | . | . | trans | -105.6 | 121.2 | -178.8 | -57.9 | 176.5 | 0 | 0 | 0 | 109.4 | L237 Y241 | L13-L237 HydrophobicContact CD2-CD2 4.37Å; L13-Y241 HydrophobicContact CD2-CD1 4.39Å; L13-Y241 HydrophobicContact CD2-CD2 3.79Å; L13-Y241 HydrophobicContact CD2-CE1 4.29Å; L13-Y241 HydrophobicContact CD2-CE2 3.67Å; L13-Y241 HydrophobicContact CD2-CG 4.14Å | ||
| 14 | F | 82.9 | Confident | 70.6 | Confident | 9 Ų | 9 | 92.7 Ų | 92.7 | 4% | 0.039 | 46% | 0.457 | C | S | . | . | trans | -118.7 | 124.8 | -175.9 | -58.8 | -78.4 | 0 | 0 | 0 | 110.3 | I11 Y12 L32 F135 D136 P158 Y241 | I11-F14 HydrophobicContact CB-CE1 4.48Å; I11-F14 HydrophobicContact CG2-CD1 4.11Å; I11-F14 HydrophobicContact CG2-CE1 3.64Å; I11-F14 HydrophobicContact CG2-CZ 4.05Å; I11-F14 WeakPolarHBondContact O-CZ 3.46Å; Y12-F14 WeakPolarHBondContact O-CE2 3.28Å; F14-L32 HydrophobicContact CD1-CD2 4.36Å; F14-L32 HydrophobicContact CE1-CD1 3.69Å; F14-L32 HydrophobicContact CE1-CD2 4.06Å; F14-L32 HydrophobicContact CZ-CD1 4.36Å; F14-F135 HydrophobicContact CD1-CE2 4.48Å; F14-F135 AromaticContact CE1-CD2 3.97Å; F14-F135 HydrophobicContact CE1-CD2 3.97Å; F14-F135 HydrophobicContact CE1-CE2 4.05Å; F14-F135 WeakPolarHBondContact CE2-O 3.43Å; F14-F135 AromaticContact CZ-CD2 3.95Å; F14-F135 HydrophobicContact CZ-CD2 3.95Å; F14-F135 HydrophobicContact CZ-CE2 4.49Å; F14-F135 WeakPolarHBondContact CZ-O 3.12Å; F14-D136 HydrophobicContact CD2-CB 4.38Å; F14-D136 HydrophobicContact CG-CB 4.48Å; F14-P158 HydrophobicContact CB-CG 3.94Å; F14-P158 VanDerWaalsContact O-CB 3.26Å; F14-P158 WeakPolarHBondContact O-CB 3.43Å; F14-P158 WeakPolarHBondContact O-CG 3.26Å; F14-Y241 PolarHBondContact N-OH 3.02Å; F14-Y241 VanDerWaalsContact N-OH 3.08Å; F14-Y241 WeakPolarHBondContact O-CE1 3.44Å | ||
| 15 | P | 74.2 | Confident | 72.2 | Confident | 68 Ų | 68 | 90 Ų | 90 | 44% | 0.442 | 44% | 0.444 | S | S | . | . | trans | -71.1 | 155.6 | 172.7 | 28.9 | -31.7 | 0 | 0 | 0 | 110.4 | K17 F18 A21 | P15-K17 PolarHBondContact O-N 3.33Å; P15-F18 HydrophobicContact CG-CB 4.47Å; P15-F18 PolarHBondContact O-N 3Å; P15-A21 HydrophobicContact CG-CB 3.54Å | ||
| 16 | T | 70.5 | Confident | 73.7 | Confident | 103 Ų | 103 | 84.7 Ų | 84.7 | 63% | 0.632 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -15.7 | -173.6 | -31.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 17 | K | 71.4 | Confident | 75.1 | Confident | 121 Ų | 121 | 80.6 Ų | 80.6 | 53% | 0.526 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.5 | 65.1 | 169.4 | -58.5 | -171.7 | -171.2 | 172 | 0 | 110.5 | P15 E19 E20 A21 | P15-K17 PolarHBondContact O-N 3.33Å; K17-E19 PolarHBondContact O-N 3.3Å; K17-E19 VanDerWaalsContact O-N 3.16Å; K17-E20 HydrophobicContact CB-CB 3.97Å; K17-E20 HydrophobicContact CD-CB 4.31Å; K17-E20 WeakPolarHBondContact CD-OE2 3.35Å; K17-E20 WeakPolarHBondContact CE-OE2 3.14Å; K17-E20 IonicContact NZ-OE1 2.78Å; K17-E20 PolarHBondContact NZ-OE1 3.09Å; K17-E20 IonicContact NZ-OE2 2.8Å; K17-E20 PolarHBondContact NZ-OE2 3.5Å; K17-E20 PolarHBondContact O-N 3.14Å; K17-A21 PolarHBondContact O-N 2.83Å; K17-A21 VanDerWaalsContact O-N 3.11Å |
| 18 | F | 75.7 | Confident | 76.1 | Confident | 14 Ų | 14 | 75.8 Ų | 75.8 | 6% | 0.061 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.4 | -26.9 | -173.1 | 81.3 | -77.1 | 0 | 0 | 0 | 113.3 | P15 A22 L32 L126 L130 F135 | P15-F18 HydrophobicContact CG-CB 4.47Å; P15-F18 PolarHBondContact O-N 3Å; F18-A22 WeakPolarHBondContact O-CB 3.41Å; F18-A22 PolarHBondContact O-N 2.74Å; F18-L32 HydrophobicContact CD2-CD2 3.97Å; F18-L32 HydrophobicContact CE2-CD2 4.47Å; F18-L126 HydrophobicContact CE2-CB 4.22Å; F18-L130 HydrophobicContact CE1-CD2 3.78Å; F18-L130 HydrophobicContact CZ-CD2 4.03Å; F18-F135 HydrophobicContact CE2-CE2 4.25Å; F18-F135 AromaticContact CE2-CZ 3.89Å; F18-F135 HydrophobicContact CE2-CZ 3.89Å; F18-F135 HydrophobicContact CZ-CZ 4.14Å |
| 19 | E | 70.9 | Confident | 77 | Confident | 46 Ų | 46 | 68.5 Ų | 68.5 | 22% | 0.215 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69.8 | -34.4 | 175.2 | -45.7 | 97.3 | 121.5 | 0 | 0 | 112.7 | K17 R23 L123 Y819 | K17-E19 PolarHBondContact O-N 3.3Å; K17-E19 VanDerWaalsContact O-N 3.16Å; E19-R23 WeakPolarHBondContact O-CB 3.32Å; E19-R23 PolarHBondContact O-N 3.41Å; E19-L123 HydrophobicContact CB-CD2 4.26Å; E19-Y819 PolarHBondContact OE1-OH 3.33Å |
| 20 | E | 70.3 | Confident | 77.6 | Confident | 100 Ų | 100 | 64.2 Ų | 64.2 | 47% | 0.467 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -73.3 | -45.5 | 177.3 | -166.8 | 173.7 | 136.9 | 0 | 0 | 110 | K17 R23 N24 | K17-E20 HydrophobicContact CB-CB 3.97Å; K17-E20 HydrophobicContact CD-CB 4.31Å; K17-E20 WeakPolarHBondContact CD-OE2 3.35Å; K17-E20 WeakPolarHBondContact CE-OE2 3.14Å; K17-E20 IonicContact NZ-OE1 2.78Å; K17-E20 PolarHBondContact NZ-OE1 3.09Å; K17-E20 IonicContact NZ-OE2 2.8Å; K17-E20 PolarHBondContact NZ-OE2 3.5Å; K17-E20 PolarHBondContact O-N 3.14Å; E20-R23 PolarHBondContact O-N 3.27Å; E20-N24 VanDerWaalsContact O-CG 3.22Å; E20-N24 PolarHBondContact O-N 3.42Å; E20-N24 VanDerWaalsContact O-N 3.13Å; E20-N24 PolarHBondContact O-ND2 3.21Å |
| 21 | A | 64.1 | Low | 78 | Confident | 39 Ų | 39 | 66.7 Ų | 66.7 | 32% | 0.322 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P15 K17 N24 D25 | P15-A21 HydrophobicContact CG-CB 3.54Å; K17-A21 PolarHBondContact O-N 2.83Å; K17-A21 VanDerWaalsContact O-N 3.11Å; A21-N24 PolarHBondContact O-N 2.81Å; A21-D25 PolarHBondContact O-N 3.32Å; A21-D25 VanDerWaalsContact O-N 3.09Å |
| 22 | A | 69.9 | Low | 78.3 | Confident | 2 Ų | 2 | 65 Ų | 65 | 2% | 0.017 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.2 | -38.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F18 N24 D25 L29 | F18-A22 WeakPolarHBondContact O-CB 3.41Å; F18-A22 PolarHBondContact O-N 2.74Å; A22-N24 PolarHBondContact O-N 2.86Å; A22-D25 CarbonylContact O-C 3.53Å; A22-D25 PolarHBondContact O-N 3.43Å; A22-L29 HydrophobicContact CB-CB 4.08Å; A22-L29 HydrophobicContact CB-CD1 4.04Å; A22-L29 WeakPolarHBondContact O-CB 3.49Å |
| 23 | R | 71.2 | Confident | 78.7 | Confident | 104 Ų | 104 | 59.8 Ų | 59.8 | 39% | 0.392 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.6 | -32.3 | 174.3 | 177.6 | 172.5 | -79.9 | 179.8 | -8.2 | 112.2 | E19 E20 L123 | E19-R23 WeakPolarHBondContact O-CB 3.32Å; E19-R23 PolarHBondContact O-N 3.41Å; E20-R23 PolarHBondContact O-N 3.27Å; R23-L123 HydrophobicContact CB-CD1 4.37Å |
| 24 | N | 76 | Confident | 79.1 | Confident | 132 Ų | 132 | 61.2 Ų | 61.2 | 71% | 0.706 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -79.1 | -24.8 | 177.7 | -66.1 | -17.6 | 0 | 0 | 0 | 113.3 | E20 A21 A22 | E20-N24 VanDerWaalsContact O-CG 3.22Å; E20-N24 PolarHBondContact O-N 3.42Å; E20-N24 VanDerWaalsContact O-N 3.13Å; E20-N24 PolarHBondContact O-ND2 3.21Å; A21-N24 PolarHBondContact O-N 2.81Å; A22-N24 PolarHBondContact O-N 2.86Å |
| 25 | D | 80 | Confident | 79.4 | Confident | 69 Ų | 69 | 61.8 Ų | 61.8 | 37% | 0.369 | 32% | 0.316 | S | S | . | . | trans | -119.1 | 97.9 | 170.7 | 176.6 | 8.1 | 0 | 0 | 0 | 112 | A21 A22 A27 T28 L29 | A21-D25 PolarHBondContact O-N 3.32Å; A21-D25 VanDerWaalsContact O-N 3.09Å; A22-D25 CarbonylContact O-C 3.53Å; A22-D25 PolarHBondContact O-N 3.43Å; D25-A27 PolarHBondContact O-N 3.35Å; D25-A27 VanDerWaalsContact O-N 3.16Å; D25-A27 WeakPolarHBondContact OD1-CA 3.3Å; D25-A27 WeakPolarHBondContact OD1-CB 3.4Å; D25-A27 PolarHBondContact OD1-N 2.85Å; D25-T28 PolarHBondContact O-N 2.91Å; D25-T28 PolarHBondContact OD1-N 2.83Å; D25-T28 WeakPolarHBondContact OD2-CB 3.48Å; D25-T28 PolarHBondContact OD2-N 3.43Å; D25-T28 PolarHBondContact OD2-OG1 2.91Å; D25-L29 PolarHBondContact O-N 3.5Å | ||
| 26 | R | 83.4 | Confident | 80.2 | Confident | 123 Ų | 123 | 58.6 Ų | 58.6 | 46% | 0.464 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -53.2 | -35.6 | 176.9 | -162 | -159 | -177.6 | 85 | 11.1 | 112.8 | F30 E118 E119 | R26-F30 HydrophobicContact CG-CD2 3.83Å; R26-F30 HydrophobicContact CG-CE2 3.69Å; R26-F30 VanDerWaalsContact O-CD2 3.26Å; R26-F30 WeakPolarHBondContact O-CD2 3.43Å; R26-F30 PolarHBondContact O-N 3.16Å; R26-E118 IonicContact NH2-OE2 3.6Å; R26-E118 PolarHBondContact NH2-OE2 3.48Å; R26-E119 IonicContact CZ-OE1 3.99Å; R26-E119 VanDerWaalsContact CZ-OE1 3.27Å; R26-E119 IonicContact NH1-OE1 3.69Å; R26-E119 PolarHBondContact NH1-OE1 3.07Å; R26-E119 IonicContact NH2-OE1 2.67Å; R26-E119 PolarHBondContact NH2-OE1 2.71Å; R26-E119 IonicContact NH2-OE2 3.17Å |
| 27 | A | 82.2 | Confident | 81.2 | Confident | 71 Ų | 71 | 56.5 Ų | 56.5 | 59% | 0.587 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -70.6 | -48.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | D25 L29 F30 Y31 | D25-A27 PolarHBondContact O-N 3.35Å; D25-A27 VanDerWaalsContact O-N 3.16Å; D25-A27 WeakPolarHBondContact OD1-CA 3.3Å; D25-A27 WeakPolarHBondContact OD1-CB 3.4Å; D25-A27 PolarHBondContact OD1-N 2.85Å; A27-L29 VanDerWaalsContact C-N 3.32Å; A27-L29 PolarHBondContact O-N 3.44Å; A27-F30 PolarHBondContact O-N 2.93Å; A27-Y31 VanDerWaalsContact O-CB 3.26Å; A27-Y31 WeakPolarHBondContact O-CB 3.43Å; A27-Y31 PolarHBondContact O-N 3.22Å |
| 28 | T | 81.4 | Confident | 82 | Confident | 55 Ų | 55 | 55.1 Ų | 55.1 | 34% | 0.337 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60 | -39 | 173.7 | -70.2 | 0 | 0 | 0 | 0 | 112.2 | I11 D25 Y31 L32 | I11-T28 HydrophobicContact CD1-CG2 4.02Å; D25-T28 PolarHBondContact O-N 2.91Å; D25-T28 PolarHBondContact OD1-N 2.83Å; D25-T28 WeakPolarHBondContact OD2-CB 3.48Å; D25-T28 PolarHBondContact OD2-N 3.43Å; D25-T28 PolarHBondContact OD2-OG1 2.91Å; T28-Y31 PolarHBondContact O-N 2.78Å; T28-L32 VanDerWaalsContact O-CB 3.25Å; T28-L32 WeakPolarHBondContact O-CB 3.18Å; T28-L32 PolarHBondContact O-N 2.69Å |
| 29 | L | 86.7 | Confident | 82.5 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.1 | -54.4 | 174.9 | 174.8 | 58.6 | 0 | 0 | 0 | 112.7 | A22 D25 A27 Y31 L32 H33 E119 A122 L123 L126 | A22-L29 HydrophobicContact CB-CB 4.08Å; A22-L29 HydrophobicContact CB-CD1 4.04Å; A22-L29 WeakPolarHBondContact O-CB 3.49Å; D25-L29 PolarHBondContact O-N 3.5Å; A27-L29 VanDerWaalsContact C-N 3.32Å; A27-L29 PolarHBondContact O-N 3.44Å; L29-Y31 VanDerWaalsContact C-N 3.35Å; L29-L32 PolarHBondContact O-N 2.69Å; L29-H33 VanDerWaalsContact O-CB 3.26Å; L29-H33 WeakPolarHBondContact O-CB 3.32Å; L29-H33 PolarHBondContact O-N 2.86Å; L29-E119 HydrophobicContact CD2-CB 4.28Å; L29-A122 HydrophobicContact CD1-CB 4.01Å; L29-A122 HydrophobicContact CD2-CB 4.39Å; L29-A122 HydrophobicContact CG-CB 4.09Å; L29-L123 HydrophobicContact CD1-CD2 3.61Å; L29-L123 HydrophobicContact CD1-CG 3.84Å; L29-L123 HydrophobicContact CD2-CD2 4.49Å; L29-L123 HydrophobicContact CD2-CG 4.17Å; L29-L126 HydrophobicContact CD1-CD1 3.64Å |
| 30 | F | 89.5 | Confident | 83.6 | Confident | 47 Ų | 47 | 56 Ų | 56 | 21% | 0.206 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -72.4 | -30.9 | -177.4 | -75.3 | -64.1 | 0 | 0 | 0 | 112.7 | R26 A27 Q34 E118 E119 A122 | R26-F30 HydrophobicContact CG-CD2 3.83Å; R26-F30 HydrophobicContact CG-CE2 3.69Å; R26-F30 VanDerWaalsContact O-CD2 3.26Å; R26-F30 WeakPolarHBondContact O-CD2 3.43Å; R26-F30 PolarHBondContact O-N 3.16Å; A27-F30 PolarHBondContact O-N 2.93Å; F30-Q34 VanDerWaalsContact O-CB 3.27Å; F30-Q34 WeakPolarHBondContact O-CB 3.29Å; F30-Q34 PolarHBondContact O-N 3.4Å; F30-E118 HydrophobicContact CE1-CB 4.43Å; F30-E118 HydrophobicContact CE1-CG 3.67Å; F30-E118 HydrophobicContact CZ-CB 4.05Å; F30-E118 HydrophobicContact CZ-CG 3.7Å; F30-E119 HydrophobicContact CE2-CG 4.2Å; F30-E119 HydrophobicContact CZ-CG 4.06Å; F30-A122 HydrophobicContact CD1-CB 4.18Å; F30-A122 HydrophobicContact CE1-CB 3.74Å; F30-A122 HydrophobicContact CZ-CB 4.44Å |
| 31 | Y | 89 | Confident | 84.5 | Confident | 95 Ų | 95 | 54.2 Ų | 54.2 | 37% | 0.373 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.4 | -50.1 | 172.3 | -168.6 | -87.7 | 0 | 0 | 0 | 111.7 | L9 I11 A27 T28 L29 Q34 Q35 | L9-Y31 WeakPolarHBondContact CB-OH 3.43Å; L9-Y31 WeakPolarHBondContact CG-OH 3.17Å; L9-Y31 PolarHBondContact O-OH 2.99Å; I11-Y31 HydrophobicContact CD1-CD1 3.7Å; I11-Y31 HydrophobicContact CD1-CE1 4.39Å; I11-Y31 HydrophobicContact CG1-CD1 3.96Å; I11-Y31 HydrophobicContact CG1-CE1 4.15Å; A27-Y31 VanDerWaalsContact O-CB 3.26Å; A27-Y31 WeakPolarHBondContact O-CB 3.43Å; A27-Y31 PolarHBondContact O-N 3.22Å; T28-Y31 PolarHBondContact O-N 2.78Å; L29-Y31 VanDerWaalsContact C-N 3.35Å; Y31-Q34 PolarHBondContact O-N 3.14Å; Y31-Q35 WeakPolarHBondContact O-CB 3.32Å; Y31-Q35 PolarHBondContact O-N 3.47Å |
| 32 | L | 89.5 | Confident | 85.6 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 178.3 | -177.2 | 53.4 | 0 | 0 | 0 | 111.3 | I11 F14 F18 T28 L29 Q34 Q35 T36 L126 F135 | I11-L32 HydrophobicContact CB-CD1 4.44Å; I11-L32 HydrophobicContact CD1-CB 3.9Å; I11-L32 HydrophobicContact CD1-CD1 4.37Å; F14-L32 HydrophobicContact CD1-CD2 4.36Å; F14-L32 HydrophobicContact CE1-CD1 3.69Å; F14-L32 HydrophobicContact CE1-CD2 4.06Å; F14-L32 HydrophobicContact CZ-CD1 4.36Å; F18-L32 HydrophobicContact CD2-CD2 3.97Å; F18-L32 HydrophobicContact CE2-CD2 4.47Å; T28-L32 VanDerWaalsContact O-CB 3.25Å; T28-L32 WeakPolarHBondContact O-CB 3.18Å; T28-L32 PolarHBondContact O-N 2.69Å; L29-L32 PolarHBondContact O-N 2.69Å; L32-Q34 VanDerWaalsContact C-N 3.32Å; L32-Q34 PolarHBondContact O-N 3.44Å; L32-Q35 WeakPolarHBondContact O-CB 3.45Å; L32-Q35 PolarHBondContact O-N 3.47Å; L32-T36 HydrophobicContact CD1-CG2 3.92Å; L32-T36 HydrophobicContact CG-CG2 4.41Å; L32-T36 WeakPolarHBondContact O-CG2 3.48Å; L32-T36 PolarHBondContact O-N 3.3Å; L32-T36 PolarHBondContact O-OG1 2.89Å; L32-L126 HydrophobicContact CD2-CD1 4.46Å; L32-L126 HydrophobicContact CD2-CD2 4.26Å; L32-L126 HydrophobicContact CG-CD1 4.43Å; L32-L126 HydrophobicContact CG-CD2 3.79Å; L32-F135 HydrophobicContact CD1-CE2 4.33Å; L32-F135 HydrophobicContact CD2-CE2 4.37Å |
| 33 | H | 91.5 | Very high | 86.3 | Confident | 7 Ų | 7 | 58.4 Ų | 58.4 | 3% | 0.032 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56 | -45.4 | 173.3 | 170.1 | -139.5 | 0 | 0 | 0 | 111.7 | L29 T36 R37 A122 L125 L126 | L29-H33 VanDerWaalsContact O-CB 3.26Å; L29-H33 WeakPolarHBondContact O-CB 3.32Å; L29-H33 PolarHBondContact O-N 2.86Å; H33-T36 PolarHBondContact O-OG1 2.86Å; H33-R37 WeakPolarHBondContact O-CB 3.3Å; H33-R37 PolarHBondContact O-N 2.98Å; H33-A122 HydrophobicContact CB-CB 4.07Å; H33-L125 VanDerWaalsContact NE2-CD1 3.33Å; H33-L125 WeakPolarHBondContact NE2-CD1 3.36Å; H33-L126 HydrophobicContact CB-CD1 4.36Å; H33-L126 HydrophobicContact CB-CG 4.38Å |
| 34 | Q | 90.4 | Very high | 87 | Confident | 73 Ų | 73 | 54.8 Ų | 54.8 | 34% | 0.341 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 177.4 | -178.1 | 60.1 | 77.8 | 0 | 0 | 112.4 | F30 Y31 L32 N38 | F30-Q34 VanDerWaalsContact O-CB 3.27Å; F30-Q34 WeakPolarHBondContact O-CB 3.29Å; F30-Q34 PolarHBondContact O-N 3.4Å; Y31-Q34 PolarHBondContact O-N 3.14Å; L32-Q34 VanDerWaalsContact C-N 3.32Å; L32-Q34 PolarHBondContact O-N 3.44Å; Q34-N38 PolarHBondContact NE2-OD1 3.32Å; Q34-N38 PolarHBondContact O-N 3.34Å; Q34-N38 PolarHBondContact O-ND2 2.93Å; Q34-N38 PolarHBondContact O-OD1 2.91Å |
| 35 | Q | 90.4 | Very high | 87.5 | Confident | 21 Ų | 21 | 56.5 Ų | 56.5 | 10% | 0.098 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.3 | -54.9 | 175.8 | 175.7 | -177.4 | -45.5 | 0 | 0 | 111.4 | T10 I11 Y31 L32 R37 N38 I39 | T10-Q35 HydrophobicContact CG2-CG 4.39Å; I11-Q35 PolarHBondContact O-NE2 2.86Å; Y31-Q35 WeakPolarHBondContact O-CB 3.32Å; Y31-Q35 PolarHBondContact O-N 3.47Å; L32-Q35 WeakPolarHBondContact O-CB 3.45Å; L32-Q35 PolarHBondContact O-N 3.47Å; Q35-R37 VanDerWaalsContact C-N 3.29Å; Q35-R37 PolarHBondContact O-N 3.33Å; Q35-N38 WeakPolarHBondContact O-CB 3.42Å; Q35-N38 PolarHBondContact O-N 2.99Å; Q35-N38 VanDerWaalsContact O-N 3.17Å; Q35-I39 HydrophobicContact CG-CD1 4.31Å; Q35-I39 WeakPolarHBondContact O-CG1 3.17Å; Q35-I39 PolarHBondContact O-N 2.96Å; Q35-I39 VanDerWaalsContact O-N 3.1Å |
| 36 | T | 90.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65 | -34.2 | -179.7 | 58.3 | 0 | 0 | 0 | 0 | 112 | L32 H33 I39 Y40 L126 Y129 F135 | L32-T36 HydrophobicContact CD1-CG2 3.92Å; L32-T36 HydrophobicContact CG-CG2 4.41Å; L32-T36 WeakPolarHBondContact O-CG2 3.48Å; L32-T36 PolarHBondContact O-N 3.3Å; L32-T36 PolarHBondContact O-OG1 2.89Å; H33-T36 PolarHBondContact O-OG1 2.86Å; T36-I39 PolarHBondContact O-N 3.46Å; T36-Y40 WeakPolarHBondContact O-CB 3.44Å; T36-Y40 PolarHBondContact O-N 2.88Å; T36-L126 HydrophobicContact CG2-CD2 3.78Å; T36-L126 VanDerWaalsContact OG1-CD2 3.3Å; T36-L126 WeakPolarHBondContact OG1-CD2 3.36Å; T36-Y129 VanDerWaalsContact OG1-CD2 3.29Å; T36-Y129 WeakPolarHBondContact OG1-CD2 3.14Å; T36-F135 HydrophobicContact CG2-CB 4.41Å; T36-F135 HydrophobicContact CG2-CD1 3.54Å; T36-F135 HydrophobicContact CG2-CD2 3.86Å; T36-F135 HydrophobicContact CG2-CE1 3.64Å; T36-F135 HydrophobicContact CG2-CE2 3.99Å; T36-F135 HydrophobicContact CG2-CG 3.67Å; T36-F135 HydrophobicContact CG2-CZ 3.88Å |
| 37 | R | 92.1 | Very high | 88 | Confident | 60 Ų | 60 | 54.7 Ų | 54.7 | 23% | 0.226 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.1 | -41 | 174 | -178.8 | 168.9 | 73.2 | 169.5 | 1.3 | 112 | H33 Q35 Y40 Y41 N60 Y129 | H33-R37 WeakPolarHBondContact O-CB 3.3Å; H33-R37 PolarHBondContact O-N 2.98Å; Q35-R37 VanDerWaalsContact C-N 3.29Å; Q35-R37 PolarHBondContact O-N 3.33Å; R37-Y40 PolarHBondContact O-N 3.49Å; R37-Y41 HydrophobicContact CG-CD2 3.66Å; R37-Y41 HydrophobicContact CG-CE2 3.8Å; R37-Y41 WeakPolarHBondContact O-CD2 3.32Å; R37-Y41 PolarHBondContact O-N 3.32Å; R37-N60 WeakPolarHBondContact CD-OD1 3.45Å; R37-Y129 HydrophobicContact CB-CE2 4.13Å |
| 38 | N | 88.1 | Confident | 88.2 | Confident | 91 Ų | 91 | 60.4 Ų | 60.4 | 49% | 0.487 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 175 | -72.8 | -10 | 0 | 0 | 0 | 111.4 | Q34 Q35 Y41 S42 | Q34-N38 PolarHBondContact NE2-OD1 3.32Å; Q34-N38 PolarHBondContact O-N 3.34Å; Q34-N38 PolarHBondContact O-ND2 2.93Å; Q34-N38 PolarHBondContact O-OD1 2.91Å; Q35-N38 WeakPolarHBondContact O-CB 3.42Å; Q35-N38 PolarHBondContact O-N 2.99Å; Q35-N38 VanDerWaalsContact O-N 3.17Å; N38-Y41 PolarHBondContact O-N 3.43Å; N38-S42 WeakPolarHBondContact O-CB 3.41Å; N38-S42 PolarHBondContact O-N 3.05Å |
| 39 | I | 85.9 | Confident | 88.6 | Confident | 77 Ų | 77 | 61.1 Ų | 61.1 | 40% | 0.395 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.4 | -50.9 | 176.2 | -62 | 165.3 | 0 | 0 | 0 | 109.9 | Q35 T36 Y41 S42 G43 L133 | Q35-I39 HydrophobicContact CG-CD1 4.31Å; Q35-I39 WeakPolarHBondContact O-CG1 3.17Å; Q35-I39 PolarHBondContact O-N 2.96Å; Q35-I39 VanDerWaalsContact O-N 3.1Å; T36-I39 PolarHBondContact O-N 3.46Å; I39-Y41 PolarHBondContact O-N 3.49Å; I39-S42 PolarHBondContact O-N 3.03Å; I39-S42 PolarHBondContact O-OG 3.12Å; I39-G43 PolarHBondContact O-N 2.94Å; I39-G43 VanDerWaalsContact O-N 3.12Å; I39-L133 HydrophobicContact CB-CD1 4.11Å; I39-L133 HydrophobicContact CG2-CD1 3.91Å; I39-L133 HydrophobicContact CG2-CD2 4.33Å |
| 40 | Y | 92.5 | Very high | 88.8 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 0% | 0.004 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -54.4 | -48 | 176.1 | 177.3 | -101.5 | 0 | 0 | 0 | 113.1 | T36 R37 G43 L44 V47 I56 Y129 L132 | T36-Y40 WeakPolarHBondContact O-CB 3.44Å; T36-Y40 PolarHBondContact O-N 2.88Å; R37-Y40 PolarHBondContact O-N 3.49Å; Y40-G43 CarbonylContact O-C 3.45Å; Y40-G43 PolarHBondContact O-N 2.88Å; Y40-L44 HydrophobicContact CD1-CD1 4.22Å; Y40-L44 HydrophobicContact CE1-CD1 3.47Å; Y40-L44 VanDerWaalsContact CE1-CD1 3.47Å; Y40-L44 PolarHBondContact O-N 2.9Å; Y40-V47 HydrophobicContact CD2-CG2 4.41Å; Y40-V47 HydrophobicContact CE2-CG1 4.36Å; Y40-V47 HydrophobicContact CE2-CG2 3.87Å; Y40-I56 HydrophobicContact CD1-CG2 4.23Å; Y40-I56 HydrophobicContact CD2-CD1 4.5Å; Y40-I56 HydrophobicContact CE1-CG2 3.63Å; Y40-I56 HydrophobicContact CE2-CD1 3.93Å; Y40-I56 HydrophobicContact CE2-CG2 4.24Å; Y40-Y129 VanDerWaalsContact CB-CE1 3.47Å; Y40-Y129 AromaticContact CD1-CE1 3.69Å; Y40-Y129 HydrophobicContact CD1-CE1 3.69Å; Y40-Y129 AromaticContact CD2-CD1 3.92Å; Y40-Y129 HydrophobicContact CD2-CD1 3.92Å; Y40-Y129 AromaticContact CD2-CE1 3.7Å; Y40-Y129 HydrophobicContact CD2-CE1 3.7Å; Y40-Y129 HydrophobicContact CE1-CE1 4.33Å; Y40-Y129 HydrophobicContact CE2-CE1 4.33Å; Y40-Y129 AromaticContact CG-CD1 3.9Å; Y40-Y129 HydrophobicContact CG-CD1 3.9Å; Y40-Y129 AromaticContact CG-CE1 3.33Å; Y40-Y129 HydrophobicContact CG-CE1 3.33Å; Y40-L132 HydrophobicContact CD2-CD1 4.36Å; Y40-L132 HydrophobicContact CE2-CD1 3.84Å |
| 41 | Y | 90.3 | Very high | 88.9 | Confident | 63 Ų | 63 | 68.2 Ų | 68.2 | 25% | 0.247 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -71.8 | -28.9 | -178.2 | -83.9 | -66.1 | 0 | 0 | 0 | 113.3 | R37 N38 I39 G43 L44 F88 | R37-Y41 HydrophobicContact CG-CD2 3.66Å; R37-Y41 HydrophobicContact CG-CE2 3.8Å; R37-Y41 WeakPolarHBondContact O-CD2 3.32Å; R37-Y41 PolarHBondContact O-N 3.32Å; N38-Y41 PolarHBondContact O-N 3.43Å; I39-Y41 PolarHBondContact O-N 3.49Å; Y41-G43 VanDerWaalsContact C-N 3.32Å; Y41-L44 HydrophobicContact CD1-CD1 4.15Å; Y41-L44 HydrophobicContact CD1-CD2 3.99Å; Y41-L44 HydrophobicContact CD1-CG 4.44Å; Y41-L44 HydrophobicContact CE1-CD1 4.08Å; Y41-L44 HydrophobicContact CE1-CD2 4.1Å; Y41-L44 WeakPolarHBondContact O-CB 3.4Å; Y41-L44 PolarHBondContact O-N 3.32Å; Y41-F88 PolarHBondContact OH-O 2.87Å |
| 42 | S | 86.4 | Confident | 89.1 | Confident | 105 Ų | 105 | 64.7 Ų | 64.7 | 73% | 0.734 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.4 | -35.7 | 170.5 | 75.5 | 0 | 0 | 0 | 0 | 112.3 | N38 I39 | N38-S42 WeakPolarHBondContact O-CB 3.41Å; N38-S42 PolarHBondContact O-N 3.05Å; I39-S42 PolarHBondContact O-N 3.03Å; I39-S42 PolarHBondContact O-OG 3.12Å |
| 43 | G | 84.8 | Confident | 89.2 | Confident | 24 Ų | 24 | 64.5 Ų | 64.5 | 25% | 0.247 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 1.9 | 177 | 0 | 0 | 0 | 0 | 0 | 116 | I39 Y40 Y41 Q45 N46 | I39-G43 PolarHBondContact O-N 2.94Å; I39-G43 VanDerWaalsContact O-N 3.12Å; Y40-G43 CarbonylContact O-C 3.45Å; Y40-G43 PolarHBondContact O-N 2.88Å; Y41-G43 VanDerWaalsContact C-N 3.32Å; G43-Q45 VanDerWaalsContact C-N 3.28Å; G43-Q45 PolarHBondContact O-N 3.38Å; G43-N46 WeakPolarHBondContact O-CB 3.3Å; G43-N46 PolarHBondContact O-N 3.41Å |
| 44 | L | 86.9 | Confident | 89.4 | Confident | 28 Ų | 28 | 65.8 Ų | 65.8 | 15% | 0.147 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -52.4 | -39.9 | -162.7 | -172.6 | 72.4 | 0 | 0 | 0 | 114.2 | Y40 Y41 N46 V47 P90 | Y40-L44 HydrophobicContact CD1-CD1 4.22Å; Y40-L44 HydrophobicContact CE1-CD1 3.47Å; Y40-L44 VanDerWaalsContact CE1-CD1 3.47Å; Y40-L44 PolarHBondContact O-N 2.9Å; Y41-L44 HydrophobicContact CD1-CD1 4.15Å; Y41-L44 HydrophobicContact CD1-CD2 3.99Å; Y41-L44 HydrophobicContact CD1-CG 4.44Å; Y41-L44 HydrophobicContact CE1-CD1 4.08Å; Y41-L44 HydrophobicContact CE1-CD2 4.1Å; Y41-L44 WeakPolarHBondContact O-CB 3.4Å; Y41-L44 PolarHBondContact O-N 3.32Å; L44-N46 PolarHBondContact O-N 3.36Å; L44-V47 PolarHBondContact O-N 3.34Å; L44-P90 HydrophobicContact CD1-CB 4Å; L44-P90 HydrophobicContact CG-CB 4.03Å; L44-P90 VanDerWaalsContact O-CB 3.22Å; L44-P90 WeakPolarHBondContact O-CB 3.32Å |
| 45 | Q | 86.2 | Confident | 89.6 | Confident | 169 Ų | 169 | 64.5 Ų | 64.5 | 79% | 0.79 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -64.7 | -22.9 | -177.9 | -60.6 | -173.6 | 8.3 | 0 | 0 | 113.3 | G43 | G43-Q45 VanDerWaalsContact C-N 3.28Å; G43-Q45 PolarHBondContact O-N 3.38Å |
| 46 | N | 86.6 | Confident | 89.9 | Confident | 133 Ų | 133 | 63.5 Ų | 63.5 | 71% | 0.711 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -91.7 | -3.4 | -176.6 | -62.8 | -33.7 | 0 | 0 | 0 | 113.6 | G43 L44 K48 | G43-N46 WeakPolarHBondContact O-CB 3.3Å; G43-N46 PolarHBondContact O-N 3.41Å; L44-N46 PolarHBondContact O-N 3.36Å; N46-K48 PolarHBondContact O-N 2.82Å |
| 47 | V | 86.7 | Confident | 90.1 | Very high | 20 Ų | 20 | 63.5 Ų | 63.5 | 12% | 0.121 | 32% | 0.323 | C | S | . | . | trans | -74.6 | 110.1 | -174.2 | -177 | 0 | 0 | 0 | 0 | 110.9 | Y40 L44 A53 P90 S92 L132 | Y40-V47 HydrophobicContact CD2-CG2 4.41Å; Y40-V47 HydrophobicContact CE2-CG1 4.36Å; Y40-V47 HydrophobicContact CE2-CG2 3.87Å; L44-V47 PolarHBondContact O-N 3.34Å; V47-A53 HydrophobicContact CG1-CB 3.75Å; V47-P90 HydrophobicContact CB-CB 4.18Å; V47-P90 HydrophobicContact CB-CG 4.24Å; V47-P90 HydrophobicContact CG1-CG 4.43Å; V47-S92 WeakPolarHBondContact O-CB 3.39Å; V47-S92 PolarHBondContact O-OG 3.1Å; V47-L132 HydrophobicContact CG1-CD1 4.06Å | ||
| 48 | K | 86 | Confident | 90.3 | Very high | 191 Ų | 191 | 60.7 Ų | 60.7 | 83% | 0.83 | 31% | 0.313 | S | S | * | . | trans | -92.1 | -21.9 | -176.3 | -63.7 | -177.2 | -176.4 | 177.7 | 0 | 114.9 | N46 V50 | N46-K48 PolarHBondContact O-N 2.82Å; K48-V50 PolarHBondContact O-N 3.3Å | ||
| 49 | D | 90.4 | Very high | 90.6 | Very high | 70 Ų | 70 | 56.3 Ų | 56.3 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | trans | -76.9 | 103.1 | 177.3 | -168.6 | -34.7 | 0 | 0 | 0 | 110 | E51 L52 A53 L132 | D49-E51 PolarHBondContact OD1-N 3.05Å; D49-E51 VanDerWaalsContact OD1-N 3.15Å; D49-L52 HydrophobicContact CB-CB 4.15Å; D49-L52 VanDerWaalsContact CG-CB 3.43Å; D49-L52 WeakPolarHBondContact OD1-CB 3.27Å; D49-L52 PolarHBondContact OD1-N 2.79Å; D49-A53 WeakPolarHBondContact O-CB 3.33Å; D49-A53 PolarHBondContact O-N 3.2Å; D49-A53 VanDerWaalsContact O-N 3.14Å; D49-L132 HydrophobicContact CB-CD2 3.93Å | ||
| 50 | V | 90.9 | Very high | 91 | Very high | 47 Ų | 47 | 52.8 Ų | 52.8 | 29% | 0.285 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -71.4 | -35.6 | -175.5 | 176.9 | 0 | 0 | 0 | 0 | 112 | K48 F54 V93 N96 | K48-V50 PolarHBondContact O-N 3.3Å; V50-F54 VanDerWaalsContact O-CB 3.3Å; V50-F54 WeakPolarHBondContact O-CB 3.41Å; V50-F54 PolarHBondContact O-N 3.38Å; V50-V93 HydrophobicContact CG1-CG2 4.22Å; V50-V93 WeakPolarHBondContact O-CG2 3.36Å; V50-N96 HydrophobicContact CG1-CB 4.14Å |
| 51 | E | 91.6 | Very high | 91 | Very high | 154 Ų | 154 | 52.7 Ų | 52.7 | 72% | 0.72 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -74.4 | -51.6 | -177.6 | -175.2 | 169.1 | -146.7 | 0 | 0 | 109.7 | D49 A53 F54 E55 | D49-E51 PolarHBondContact OD1-N 3.05Å; D49-E51 VanDerWaalsContact OD1-N 3.15Å; E51-A53 PolarHBondContact O-N 3.37Å; E51-F54 WeakPolarHBondContact O-CB 3.43Å; E51-F54 PolarHBondContact O-N 2.83Å; E51-F54 VanDerWaalsContact O-N 3.15Å; E51-E55 PolarHBondContact O-N 3.07Å; E51-E55 VanDerWaalsContact O-N 3.12Å |
| 52 | L | 92.5 | Very high | 91.1 | Very high | 20 Ų | 20 | 50.2 Ų | 50.2 | 11% | 0.105 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.8 | -37.6 | -177.2 | -168 | 54.9 | 0 | 0 | 0 | 112.4 | D49 F54 E55 I56 R128 V131 L132 | D49-L52 HydrophobicContact CB-CB 4.15Å; D49-L52 VanDerWaalsContact CG-CB 3.43Å; D49-L52 WeakPolarHBondContact OD1-CB 3.27Å; D49-L52 PolarHBondContact OD1-N 2.79Å; L52-F54 VanDerWaalsContact C-N 3.33Å; L52-F54 PolarHBondContact O-N 2.76Å; L52-E55 PolarHBondContact O-N 2.86Å; L52-I56 HydrophobicContact CG-CD1 4.45Å; L52-I56 VanDerWaalsContact O-CG1 3.31Å; L52-I56 WeakPolarHBondContact O-CG1 3.23Å; L52-I56 PolarHBondContact O-N 3.23Å; L52-R128 HydrophobicContact CD1-CB 3.82Å; L52-R128 HydrophobicContact CD1-CG 3.6Å; L52-R128 HydrophobicContact CG-CB 4.41Å; L52-V131 HydrophobicContact CD2-CB 3.92Å; L52-V131 HydrophobicContact CD2-CG1 3.68Å; L52-L132 HydrophobicContact CD2-CD1 4.35Å; L52-L132 HydrophobicContact CD2-CD2 3.75Å; L52-L132 HydrophobicContact CD2-CG 3.7Å; L52-L132 HydrophobicContact CG-CD1 4.32Å; L52-L132 HydrophobicContact CG-CD2 4.41Å; L52-L132 HydrophobicContact CG-CG 4.21Å |
| 53 | A | 93.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.2 | -29.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V47 D49 E51 G57 P90 V93 | V47-A53 HydrophobicContact CG1-CB 3.75Å; D49-A53 WeakPolarHBondContact O-CB 3.33Å; D49-A53 PolarHBondContact O-N 3.2Å; D49-A53 VanDerWaalsContact O-N 3.14Å; E51-A53 PolarHBondContact O-N 3.37Å; A53-G57 PolarHBondContact O-N 2.88Å; A53-P90 HydrophobicContact CB-CG 3.6Å; A53-V93 HydrophobicContact CB-CG2 3.99Å |
| 54 | F | 95.1 | Very high | 91.3 | Very high | 35 Ų | 35 | 48.6 Ų | 48.6 | 15% | 0.154 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.4 | -41.6 | 172.8 | 176.7 | -91.1 | 0 | 0 | 0 | 111.6 | V50 E51 L52 G57 C58 F89 V93 F102 A105 V106 Y109 | V50-F54 VanDerWaalsContact O-CB 3.3Å; V50-F54 WeakPolarHBondContact O-CB 3.41Å; V50-F54 PolarHBondContact O-N 3.38Å; E51-F54 WeakPolarHBondContact O-CB 3.43Å; E51-F54 PolarHBondContact O-N 2.83Å; E51-F54 VanDerWaalsContact O-N 3.15Å; L52-F54 VanDerWaalsContact C-N 3.33Å; L52-F54 PolarHBondContact O-N 2.76Å; F54-G57 PolarHBondContact O-N 3.12Å; F54-C58 PolarHBondContact O-N 3.37Å; F54-C58 VanDerWaalsContact O-N 3.11Å; F54-C58 PolarHBondContact O-SG 3.12Å; F54-F89 HydrophobicContact CD2-CD1 4.13Å; F54-F89 AromaticContact CD2-CE1 3.67Å; F54-F89 HydrophobicContact CD2-CE1 3.67Å; F54-F89 HydrophobicContact CE2-CE1 4.04Å; F54-F89 HydrophobicContact CG-CE1 4.28Å; F54-F89 WeakPolarHBondContact O-CE1 3.34Å; F54-V93 HydrophobicContact CB-CG1 4.29Å; F54-V93 HydrophobicContact CB-CG2 4.33Å; F54-V93 HydrophobicContact CD2-CG1 3.96Å; F54-F102 HydrophobicContact CE2-CE2 4.5Å; F54-A105 HydrophobicContact CE2-CB 4.09Å; F54-A105 HydrophobicContact CZ-CB 3.81Å; F54-V106 HydrophobicContact CE2-CG2 3.77Å; F54-V106 HydrophobicContact CZ-CG2 4.14Å; F54-Y109 HydrophobicContact CD1-CD2 4.45Å; F54-Y109 AromaticContact CE1-CD2 3.93Å; F54-Y109 HydrophobicContact CE1-CD2 3.93Å; F54-Y109 HydrophobicContact CE1-CG 4.2Å |
| 55 | E | 95.3 | Very high | 91.2 | Very high | 46 Ų | 46 | 47.7 Ų | 47.7 | 22% | 0.215 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.8 | -45.5 | 173.9 | -58.3 | -155 | 125.3 | 0 | 0 | 111.8 | E51 L52 G57 C58 L59 Y109 R128 | E51-E55 PolarHBondContact O-N 3.07Å; E51-E55 VanDerWaalsContact O-N 3.12Å; L52-E55 PolarHBondContact O-N 2.86Å; E55-G57 VanDerWaalsContact C-N 3.33Å; E55-G57 PolarHBondContact O-N 2.6Å; E55-C58 PolarHBondContact O-N 2.88Å; E55-L59 WeakPolarHBondContact O-CB 3.43Å; E55-L59 PolarHBondContact O-N 3.06Å; E55-Y109 HydrophobicContact CB-CE2 4.35Å; E55-Y109 HydrophobicContact CG-CE2 3.71Å; E55-Y109 WeakPolarHBondContact CG-OH 3.49Å; E55-Y109 WeakPolarHBondContact OE1-CE2 2.96Å; E55-Y109 PolarHBondContact OE1-OH 3.38Å; E55-R128 IonicContact OE1-NH2 2.71Å; E55-R128 IonicContact OE2-CZ 3.7Å; E55-R128 IonicContact OE2-NE 2.75Å; E55-R128 PolarHBondContact OE2-NE 2.82Å; E55-R128 IonicContact OE2-NH2 3.38Å; E55-R128 PolarHBondContact OE2-NH2 3.12Å |
| 56 | I | 95.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.2 | -42.5 | 176.1 | -71.4 | 167.9 | 0 | 0 | 0 | 111.9 | Y40 L52 L59 N60 L125 R128 Y129 L132 | Y40-I56 HydrophobicContact CD1-CG2 4.23Å; Y40-I56 HydrophobicContact CD2-CD1 4.5Å; Y40-I56 HydrophobicContact CE1-CG2 3.63Å; Y40-I56 HydrophobicContact CE2-CD1 3.93Å; Y40-I56 HydrophobicContact CE2-CG2 4.24Å; L52-I56 HydrophobicContact CG-CD1 4.45Å; L52-I56 VanDerWaalsContact O-CG1 3.31Å; L52-I56 WeakPolarHBondContact O-CG1 3.23Å; L52-I56 PolarHBondContact O-N 3.23Å; I56-L59 PolarHBondContact O-N 3.04Å; I56-N60 WeakPolarHBondContact O-CB 3.32Å; I56-N60 PolarHBondContact O-N 2.85Å; I56-N60 PolarHBondContact O-ND2 3.04Å; I56-L125 HydrophobicContact CB-CD2 4.29Å; I56-L125 HydrophobicContact CG1-CD2 4.36Å; I56-L125 HydrophobicContact CG2-CD2 3.99Å; I56-R128 HydrophobicContact CD1-CB 3.85Å; I56-R128 HydrophobicContact CG1-CB 3.66Å; I56-R128 HydrophobicContact CG1-CG 4.46Å; I56-Y129 HydrophobicContact CD1-CD1 4.09Å; I56-Y129 HydrophobicContact CD1-CE1 4.12Å; I56-Y129 HydrophobicContact CG1-CE1 4.43Å; I56-Y129 HydrophobicContact CG2-CE1 3.63Å; I56-L132 HydrophobicContact CD1-CD1 3.45Å; I56-L132 VanDerWaalsContact CD1-CD1 3.45Å; I56-L132 HydrophobicContact CD1-CG 4.47Å |
| 57 | G | 94.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.4 | -43.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A53 F54 E55 N60 I61 | A53-G57 PolarHBondContact O-N 2.88Å; F54-G57 PolarHBondContact O-N 3.12Å; E55-G57 VanDerWaalsContact C-N 3.33Å; E55-G57 PolarHBondContact O-N 2.6Å; G57-N60 PolarHBondContact O-N 3.3Å; G57-I61 WeakPolarHBondContact O-CG1 3.36Å; G57-I61 PolarHBondContact O-N 3.12Å |
| 58 | C | 95.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.1 | -41 | 176.9 | -63.6 | 0 | 0 | 0 | 0 | 112.7 | F54 E55 I61 R62 Y109 L110 | F54-C58 PolarHBondContact O-N 3.37Å; F54-C58 VanDerWaalsContact O-N 3.11Å; F54-C58 PolarHBondContact O-SG 3.12Å; E55-C58 PolarHBondContact O-N 2.88Å; C58-I61 PolarHBondContact O-N 2.66Å; C58-R62 PolarHBondContact O-N 2.98Å; C58-Y109 HydrophobicContact CB-CD1 3.48Å; C58-Y109 VanDerWaalsContact CB-CD1 3.48Å; C58-Y109 HydrophobicContact CB-CE1 4.14Å; C58-Y109 HydrophobicContact CB-CG 3.97Å; C58-L110 WeakPolarHBondContact O-CD2 3.44Å |
| 59 | L | 95.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65 | -39.5 | 175.1 | -79.7 | 162.4 | 0 | 0 | 0 | 112.2 | E55 I56 R62 S63 I113 Y116 D124 L125 | E55-L59 WeakPolarHBondContact O-CB 3.43Å; E55-L59 PolarHBondContact O-N 3.06Å; I56-L59 PolarHBondContact O-N 3.04Å; L59-R62 PolarHBondContact O-N 3.24Å; L59-S63 WeakPolarHBondContact O-CB 3.3Å; L59-S63 PolarHBondContact O-N 3.38Å; L59-I113 HydrophobicContact CD2-CD1 3.8Å; L59-I113 HydrophobicContact CG-CD1 4.08Å; L59-Y116 HydrophobicContact CD2-CD2 4.1Å; L59-Y116 HydrophobicContact CD2-CE2 4.12Å; L59-D124 HydrophobicContact CD1-CB 4.48Å; L59-D124 HydrophobicContact CD2-CB 4.33Å; L59-L125 HydrophobicContact CB-CD1 4.22Å; L59-L125 HydrophobicContact CB-CD2 3.48Å; L59-L125 VanDerWaalsContact CB-CD2 3.48Å; L59-L125 HydrophobicContact CB-CG 3.71Å; L59-L125 HydrophobicContact CD1-CD2 4.11Å; L59-L125 HydrophobicContact CD1-CG 4.33Å; L59-L125 HydrophobicContact CG-CD2 4.44Å |
| 60 | N | 93.4 | Very high | 88.4 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.011 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.4 | -37.3 | 173.6 | -86.6 | -89.5 | 0 | 0 | 0 | 112.1 | R37 I56 G57 S63 F64 F88 L125 Y129 | R37-N60 WeakPolarHBondContact CD-OD1 3.45Å; I56-N60 WeakPolarHBondContact O-CB 3.32Å; I56-N60 PolarHBondContact O-N 2.85Å; I56-N60 PolarHBondContact O-ND2 3.04Å; G57-N60 PolarHBondContact O-N 3.3Å; N60-S63 PolarHBondContact O-N 3.31Å; N60-F64 WeakPolarHBondContact O-CB 3.24Å; N60-F64 PolarHBondContact O-N 3.15Å; N60-F88 HydrophobicContact CB-CD1 3.68Å; N60-F88 HydrophobicContact CB-CE1 4.1Å; N60-L125 VanDerWaalsContact ND2-CD2 3.27Å; N60-L125 WeakPolarHBondContact ND2-CD2 3.4Å; N60-Y129 PolarHBondContact ND2-OH 3.37Å |
| 61 | I | 92.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 172.9 | -73.2 | 168.6 | 0 | 0 | 0 | 111.1 | G57 C58 F64 I75 V79 I85 F88 F89 V106 L110 | G57-I61 WeakPolarHBondContact O-CG1 3.36Å; G57-I61 PolarHBondContact O-N 3.12Å; C58-I61 PolarHBondContact O-N 2.66Å; I61-F64 PolarHBondContact O-N 2.78Å; I61-I75 HydrophobicContact CG2-CG2 4.12Å; I61-V79 HydrophobicContact CG2-CG2 4.28Å; I61-I85 HydrophobicContact CD1-CB 4.03Å; I61-I85 HydrophobicContact CD1-CG2 4.07Å; I61-F88 HydrophobicContact CD1-CB 4.23Å; I61-F88 HydrophobicContact CD1-CD2 4.11Å; I61-F88 HydrophobicContact CD1-CG 4.14Å; I61-F88 HydrophobicContact CG1-CB 4.17Å; I61-F88 HydrophobicContact CG1-CD1 3.86Å; I61-F88 HydrophobicContact CG1-CD2 3.72Å; I61-F88 HydrophobicContact CG1-CE1 4.09Å; I61-F88 HydrophobicContact CG1-CE2 3.97Å; I61-F88 HydrophobicContact CG1-CG 3.65Å; I61-F88 HydrophobicContact CG1-CZ 4.13Å; I61-F89 HydrophobicContact CD1-CE2 3.73Å; I61-F89 HydrophobicContact CD1-CZ 4.04Å; I61-V106 HydrophobicContact CD1-CG1 4.2Å; I61-L110 HydrophobicContact CB-CD2 4.33Å; I61-L110 HydrophobicContact CG2-CD1 3.83Å; I61-L110 HydrophobicContact CG2-CD2 3.9Å; I61-L110 HydrophobicContact CG2-CG 4.48Å |
| 62 | R | 92.8 | Very high | 88.3 | Confident | 10 Ų | 10 | 36.8 Ų | 36.8 | 4% | 0.038 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64 | -44.3 | 174 | 177.7 | 66.4 | -160.9 | 92 | -0.3 | 111.6 | C58 L59 F64 V65 L110 I113 I114 Y116 C121 | C58-R62 PolarHBondContact O-N 2.98Å; L59-R62 PolarHBondContact O-N 3.24Å; R62-F64 VanDerWaalsContact C-N 3.32Å; R62-F64 PolarHBondContact O-N 2.86Å; R62-V65 PolarHBondContact NH1-O 3.3Å; R62-V65 PolarHBondContact O-N 3.3Å; R62-L110 HydrophobicContact CB-CD2 4.14Å; R62-I113 HydrophobicContact CB-CD1 3.74Å; R62-I113 HydrophobicContact CB-CG1 4.35Å; R62-I113 HydrophobicContact CG-CD1 4.24Å; R62-I113 HydrophobicContact CG-CG1 4.46Å; R62-I114 PolarHBondContact NE-O 3.04Å; R62-I114 VanDerWaalsContact NE-O 3.09Å; R62-Y116 PolarHBondContact NE-O 2.88Å; R62-Y116 PolarHBondContact NH2-O 3.27Å; R62-C121 WeakPolarHBondContact CG-SG 3.49Å |
| 63 | S | 89.5 | Confident | 88.1 | Confident | 14 Ų | 14 | 42.1 Ų | 42.1 | 10% | 0.098 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.4 | -29.6 | 178.7 | 173.8 | 0 | 0 | 0 | 0 | 113.4 | L59 N60 V65 | L59-S63 WeakPolarHBondContact O-CB 3.3Å; L59-S63 PolarHBondContact O-N 3.38Å; N60-S63 PolarHBondContact O-N 3.31Å; S63-V65 PolarHBondContact O-N 3.45Å |
| 64 | F | 86.2 | Confident | 88 | Confident | 81 Ų | 81 | 46.1 Ų | 46.1 | 36% | 0.355 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -17.9 | 179 | -166.2 | -90.2 | 0 | 0 | 0 | 113.6 | N60 I61 R62 V79 V82 F88 | N60-F64 WeakPolarHBondContact O-CB 3.24Å; N60-F64 PolarHBondContact O-N 3.15Å; I61-F64 PolarHBondContact O-N 2.78Å; R62-F64 VanDerWaalsContact C-N 3.32Å; R62-F64 PolarHBondContact O-N 2.86Å; F64-V79 HydrophobicContact CB-CG2 4.44Å; F64-V79 HydrophobicContact CD1-CG2 3.79Å; F64-V79 HydrophobicContact CE1-CG2 4.48Å; F64-V79 HydrophobicContact CG-CG2 4.4Å; F64-V82 HydrophobicContact CE1-CB 4.38Å; F64-V82 HydrophobicContact CZ-CB 4.33Å; F64-V82 HydrophobicContact CZ-CG1 4.04Å; F64-F88 HydrophobicContact CB-CZ 4.41Å; F64-F88 HydrophobicContact CD2-CE1 4.4Å; F64-F88 HydrophobicContact CD2-CZ 4.08Å; F64-F88 HydrophobicContact CG-CZ 4.24Å |
| 65 | V | 84 | Confident | 87.7 | Confident | 10 Ų | 10 | 44.6 Ų | 44.6 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | trans | -123.1 | 92.6 | -173.8 | -174.8 | 0 | 0 | 0 | 0 | 110.6 | R62 S63 S67 L70 I75 T78 V79 | R62-V65 PolarHBondContact NH1-O 3.3Å; R62-V65 PolarHBondContact O-N 3.3Å; S63-V65 PolarHBondContact O-N 3.45Å; V65-S67 PolarHBondContact O-N 2.93Å; V65-L70 HydrophobicContact CG1-CD1 3.62Å; V65-I75 HydrophobicContact CB-CG2 4.45Å; V65-I75 HydrophobicContact CG1-CG1 4.43Å; V65-I75 HydrophobicContact CG2-CG2 4.17Å; V65-T78 HydrophobicContact CG1-CG2 4.41Å; V65-T78 HydrophobicContact CG2-CG2 4.22Å; V65-V79 HydrophobicContact CG2-CG2 3.79Å | ||
| 66 | S | 73.5 | Confident | 87.5 | Confident | 88 Ų | 88 | 42.9 Ų | 42.9 | 62% | 0.615 | 23% | 0.229 | S | C | * | . | trans | -65.5 | -9.7 | -172.9 | -40.2 | 0 | 0 | 0 | 0 | 115.5 | P68 | S66-P68 WeakPolarHBondContact O-CD 3.36Š| ||
| 67 | S | 76.1 | Confident | 87.2 | Confident | 51 Ų | 51 | 47 Ų | 47 | 36% | 0.357 | 25% | 0.248 | S | C | . | . | trans | -79.3 | 118.8 | -178.7 | -177.6 | 0 | 0 | 0 | 0 | 112.2 | V65 K69 | V65-S67 PolarHBondContact O-N 2.93Å; S67-K69 VanDerWaalsContact C-N 3.26Å; S67-K69 PolarHBondContact O-N 2.87Å | ||
| 68 | P | 68.6 | Low | 86.9 | Confident | 106 Ų | 106 | 49.4 Ų | 49.4 | 69% | 0.688 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | 4.8 | -177.8 | 35 | -37.5 | 0 | 0 | 0 | 114.1 | S66 | S66-P68 WeakPolarHBondContact O-CD 3.36Š|
| 69 | K | 76.6 | Confident | 86.6 | Confident | 194 Ų | 194 | 49.4 Ų | 49.4 | 84% | 0.843 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | -6 | -175.5 | -68.1 | -172.7 | 178.4 | -178.7 | 0 | 114.7 | S67 | S67-K69 VanDerWaalsContact C-N 3.26Å; S67-K69 PolarHBondContact O-N 2.87Å |
| 70 | L | 82.7 | Confident | 86.4 | Confident | 41 Ų | 41 | 52.9 Ų | 52.9 | 22% | 0.215 | 28% | 0.279 | C | S | . | . | trans | -84.2 | 139.1 | -174.9 | -63.6 | 177.6 | 0 | 0 | 0 | 111.5 | V65 E74 I75 I114 | V65-L70 HydrophobicContact CG1-CD1 3.62Å; L70-E74 HydrophobicContact CB-CB 4.03Å; L70-E74 HydrophobicContact CD2-CB 4.08Å; L70-E74 HydrophobicContact CG-CB 4.49Å; L70-I75 HydrophobicContact CB-CG1 3.91Å; L70-I114 WeakPolarHBondContact O-CD1 3.11Å | ||
| 71 | S | 89.4 | Confident | 86.1 | Confident | 48 Ų | 48 | 60.7 Ų | 60.7 | 34% | 0.336 | 31% | 0.313 | S | S | . | . | trans | -67.6 | 162.5 | 170.6 | 69.2 | 0 | 0 | 0 | 0 | 111.9 | K73 E74 I75 | S71-K73 PolarHBondContact O-N 3.32Å; S71-K73 VanDerWaalsContact O-N 3.12Å; S71-E74 WeakPolarHBondContact CB-OE2 3.4Å; S71-E74 PolarHBondContact N-OE2 3.2Å; S71-E74 PolarHBondContact O-N 3Å; S71-E74 PolarHBondContact OG-N 3.43Å; S71-E74 PolarHBondContact OG-OE2 3.06Å; S71-I75 WeakPolarHBondContact O-CG1 3.47Å; S71-I75 PolarHBondContact O-N 3.31Å | ||
| 72 | V | 90.3 | Very high | 85.7 | Confident | 26 Ų | 26 | 65.6 Ų | 65.6 | 16% | 0.158 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -52.4 | -36 | 174.7 | 179 | 0 | 0 | 0 | 0 | 112.2 | I76 Q107 L110 A111 I114 | V72-I76 HydrophobicContact CG1-CD1 4.11Å; V72-I76 WeakPolarHBondContact O-CG1 3.38Å; V72-I76 PolarHBondContact O-N 3.37Å; V72-Q107 HydrophobicContact CG1-CB 4.22Å; V72-Q107 HydrophobicContact CG1-CG 4.2Å; V72-L110 HydrophobicContact CG1-CB 3.77Å; V72-L110 HydrophobicContact CG1-CD1 4.25Å; V72-L110 HydrophobicContact CG2-CB 4.33Å; V72-A111 HydrophobicContact CG2-CB 4.07Å; V72-I114 HydrophobicContact CG2-CD1 3.98Å |
| 73 | K | 89.9 | Confident | 85.5 | Confident | 132 Ų | 132 | 69.7 Ų | 69.7 | 57% | 0.574 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -67 | -49.8 | 177.8 | -179 | -179.8 | 167.1 | -175.4 | 0 | 111 | S71 I75 I76 E77 | S71-K73 PolarHBondContact O-N 3.32Å; S71-K73 VanDerWaalsContact O-N 3.12Å; K73-I75 VanDerWaalsContact C-N 3.33Å; K73-I75 PolarHBondContact O-N 3.3Å; K73-I76 PolarHBondContact O-N 2.91Å; K73-E77 WeakPolarHBondContact CE-OE1 3.4Å; K73-E77 HydrophobicContact CG-CG 4.48Å; K73-E77 IonicContact NZ-OE1 3.66Å; K73-E77 WeakPolarHBondContact O-CG 3.43Å; K73-E77 PolarHBondContact O-N 3.35Å |
| 74 | E | 89.5 | Confident | 85.4 | Confident | 85 Ų | 85 | 72.9 Ų | 72.9 | 40% | 0.397 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.6 | -34 | 179.6 | -68.5 | 159.4 | 109.7 | 0 | 0 | 112.5 | L70 S71 T78 | L70-E74 HydrophobicContact CB-CB 4.03Å; L70-E74 HydrophobicContact CD2-CB 4.08Å; L70-E74 HydrophobicContact CG-CB 4.49Å; S71-E74 WeakPolarHBondContact CB-OE2 3.4Å; S71-E74 PolarHBondContact N-OE2 3.2Å; S71-E74 PolarHBondContact O-N 3Å; S71-E74 PolarHBondContact OG-N 3.43Å; S71-E74 PolarHBondContact OG-OE2 3.06Å; E74-T78 VanDerWaalsContact O-CB 3.22Å; E74-T78 WeakPolarHBondContact O-CB 3.45Å; E74-T78 PolarHBondContact O-N 3.48Å; E74-T78 PolarHBondContact O-OG1 3.23Å |
| 75 | I | 89.5 | Confident | 85.7 | Confident | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.8 | -50.3 | 172.6 | -69 | 168.4 | 0 | 0 | 0 | 110.1 | I61 V65 L70 S71 K73 T78 V79 I114 | I61-I75 HydrophobicContact CG2-CG2 4.12Å; V65-I75 HydrophobicContact CB-CG2 4.45Å; V65-I75 HydrophobicContact CG1-CG1 4.43Å; V65-I75 HydrophobicContact CG2-CG2 4.17Å; L70-I75 HydrophobicContact CB-CG1 3.91Å; S71-I75 WeakPolarHBondContact O-CG1 3.47Å; S71-I75 PolarHBondContact O-N 3.31Å; K73-I75 VanDerWaalsContact C-N 3.33Å; K73-I75 PolarHBondContact O-N 3.3Å; I75-T78 PolarHBondContact O-N 3.24Å; I75-V79 WeakPolarHBondContact O-CG2 3.32Å; I75-V79 PolarHBondContact O-N 2.83Å; I75-I114 HydrophobicContact CD1-CG1 4.39Å |
| 76 | I | 91.3 | Very high | 86 | Confident | 11 Ų | 11 | 69.9 Ų | 69.9 | 6% | 0.056 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 177.9 | -68.4 | 167.5 | 0 | 0 | 0 | 110.9 | V72 K73 T78 V79 E80 I85 Q107 L110 | V72-I76 HydrophobicContact CG1-CD1 4.11Å; V72-I76 WeakPolarHBondContact O-CG1 3.38Å; V72-I76 PolarHBondContact O-N 3.37Å; K73-I76 PolarHBondContact O-N 2.91Å; I76-T78 PolarHBondContact O-N 2.97Å; I76-V79 PolarHBondContact O-N 3.48Å; I76-V79 VanDerWaalsContact O-N 3.16Å; I76-E80 HydrophobicContact CG2-CG 4.11Å; I76-E80 WeakPolarHBondContact CG2-OE1 3.42Å; I76-E80 WeakPolarHBondContact O-CB 3.41Å; I76-E80 WeakPolarHBondContact O-CG 3.48Å; I76-E80 PolarHBondContact O-N 3.33Å; I76-I85 HydrophobicContact CG2-CG2 4.49Å; I76-Q107 HydrophobicContact CD1-CG 3.41Å; I76-Q107 VanDerWaalsContact CD1-CG 3.41Å; I76-L110 HydrophobicContact CD1-CD1 4.03Å; I76-L110 HydrophobicContact CG1-CD1 3.85Å |
| 77 | E | 90.4 | Very high | 86.8 | Confident | 85 Ų | 85 | 68.5 Ų | 68.5 | 40% | 0.397 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.9 | -26.7 | 177.4 | -72.5 | 178 | 174.7 | 0 | 0 | 113.2 | K73 K81 | K73-E77 WeakPolarHBondContact CE-OE1 3.4Å; K73-E77 HydrophobicContact CG-CG 4.48Å; K73-E77 IonicContact NZ-OE1 3.66Å; K73-E77 WeakPolarHBondContact O-CG 3.43Å; K73-E77 PolarHBondContact O-N 3.35Å; E77-K81 VanDerWaalsContact O-CD 3.23Å; E77-K81 WeakPolarHBondContact O-CD 3.39Å; E77-K81 WeakPolarHBondContact O-CE 3.35Å; E77-K81 WeakPolarHBondContact O-CG 3.4Å; E77-K81 PolarHBondContact O-N 2.86Å |
| 78 | T | 88.2 | Confident | 87.5 | Confident | 52 Ų | 52 | 66.3 Ų | 66.3 | 32% | 0.319 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -75.7 | -38.8 | 174 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | V65 E74 I75 I76 | V65-T78 HydrophobicContact CG1-CG2 4.41Å; V65-T78 HydrophobicContact CG2-CG2 4.22Å; E74-T78 VanDerWaalsContact O-CB 3.22Å; E74-T78 WeakPolarHBondContact O-CB 3.45Å; E74-T78 PolarHBondContact O-N 3.48Å; E74-T78 PolarHBondContact O-OG1 3.23Å; I75-T78 PolarHBondContact O-N 3.24Å; I76-T78 PolarHBondContact O-N 2.97Å |
| 79 | V | 88.9 | Confident | 88.7 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.3 | -47.2 | 175.4 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | I61 F64 V65 I75 I76 K81 V82 R83 I85 F88 | I61-V79 HydrophobicContact CG2-CG2 4.28Å; F64-V79 HydrophobicContact CB-CG2 4.44Å; F64-V79 HydrophobicContact CD1-CG2 3.79Å; F64-V79 HydrophobicContact CE1-CG2 4.48Å; F64-V79 HydrophobicContact CG-CG2 4.4Å; V65-V79 HydrophobicContact CG2-CG2 3.79Å; I75-V79 WeakPolarHBondContact O-CG2 3.32Å; I75-V79 PolarHBondContact O-N 2.83Å; I76-V79 PolarHBondContact O-N 3.48Å; I76-V79 VanDerWaalsContact O-N 3.16Å; V79-K81 PolarHBondContact O-N 3.43Å; V79-K81 VanDerWaalsContact O-N 3.15Å; V79-V82 PolarHBondContact O-N 3.18Å; V79-R83 CarbonylContact C-O 3.57Å; V79-R83 HydrophobicContact CG1-CG 4.29Å; V79-R83 PolarHBondContact O-N 3.47Å; V79-I85 HydrophobicContact CB-CG2 4.29Å; V79-I85 HydrophobicContact CG1-CG2 3.79Å; V79-F88 HydrophobicContact CG1-CE2 3.49Å; V79-F88 VanDerWaalsContact CG1-CE2 3.49Å; V79-F88 HydrophobicContact CG1-CZ 3.93Å |
| 80 | E | 89.9 | Confident | 89.4 | Confident | 72 Ų | 72 | 52.3 Ų | 52.3 | 34% | 0.336 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.6 | -19 | -177.6 | -69.6 | -174 | 175.5 | 0 | 0 | 113.5 | I76 V82 R83 I85 K103 | I76-E80 HydrophobicContact CG2-CG 4.11Å; I76-E80 WeakPolarHBondContact CG2-OE1 3.42Å; I76-E80 WeakPolarHBondContact O-CB 3.41Å; I76-E80 WeakPolarHBondContact O-CG 3.48Å; I76-E80 PolarHBondContact O-N 3.33Å; E80-V82 VanDerWaalsContact C-N 3.27Å; E80-V82 PolarHBondContact O-N 3.12Å; E80-R83 WeakPolarHBondContact CA-O 3.44Å; E80-I85 HydrophobicContact CG-CG2 3.88Å; E80-I85 VanDerWaalsContact OE1-CD1 3.28Å; E80-I85 WeakPolarHBondContact OE1-CD1 3.33Å; E80-I85 WeakPolarHBondContact OE1-CG1 3.38Å; E80-K103 VanDerWaalsContact CD-NZ 3.27Å; E80-K103 IonicContact OE1-NZ 2.63Å; E80-K103 PolarHBondContact OE1-NZ 2.83Å; E80-K103 IonicContact OE2-NZ 3.17Å; E80-K103 PolarHBondContact OE2-NZ 3.25Å |
| 81 | K | 88.8 | Confident | 89.7 | Confident | 166 Ų | 166 | 52.9 Ų | 52.9 | 72% | 0.722 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -18 | 168.3 | -76.5 | 165 | -167.1 | 169.2 | 0 | 114.2 | E77 V79 | E77-K81 VanDerWaalsContact O-CD 3.23Å; E77-K81 WeakPolarHBondContact O-CD 3.39Å; E77-K81 WeakPolarHBondContact O-CE 3.35Å; E77-K81 WeakPolarHBondContact O-CG 3.4Å; E77-K81 PolarHBondContact O-N 2.86Å; V79-K81 PolarHBondContact O-N 3.43Å; V79-K81 VanDerWaalsContact O-N 3.15Å |
| 82 | V | 83.8 | Confident | 89.7 | Confident | 104 Ų | 104 | 51.7 Ų | 51.7 | 63% | 0.63 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.2 | -38.7 | -174.6 | -172.5 | 0 | 0 | 0 | 0 | 111.9 | F64 V79 E80 | F64-V82 HydrophobicContact CE1-CB 4.38Å; F64-V82 HydrophobicContact CZ-CB 4.33Å; F64-V82 HydrophobicContact CZ-CG1 4.04Å; V79-V82 PolarHBondContact O-N 3.18Å; E80-V82 VanDerWaalsContact C-N 3.27Å; E80-V82 PolarHBondContact O-N 3.12Å |
| 83 | R | 87.6 | Confident | 89.8 | Confident | 96 Ų | 96 | 50.5 Ų | 50.5 | 36% | 0.362 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -160.1 | 147.7 | 176.8 | 58.3 | -174.2 | -68.1 | -179.8 | -3.1 | 111.2 | V79 E80 I85 T87 F88 | V79-R83 CarbonylContact C-O 3.57Å; V79-R83 HydrophobicContact CG1-CG 4.29Å; V79-R83 PolarHBondContact O-N 3.47Å; E80-R83 WeakPolarHBondContact CA-O 3.44Å; R83-I85 PolarHBondContact O-N 2.93Å; R83-T87 PolarHBondContact NE-OG1 3.41Å; R83-T87 PolarHBondContact NH2-O 3.43Å; R83-T87 PolarHBondContact NH2-OG1 2.92Å; R83-F88 HydrophobicContact CG-CE2 3.84Å; R83-F88 HydrophobicContact CG-CZ 4.27Å |
| 84 | D | 88.4 | Confident | 89.8 | Confident | 81 Ų | 81 | 46.9 Ų | 46.9 | 43% | 0.433 | 24% | 0.242 | S | C | . | . | trans | -60.1 | 131.6 | 172.9 | 176.6 | 10 | 0 | 0 | 0 | 110.7 | S86 T87 | D84-S86 PolarHBondContact O-N 3.27Å; D84-S86 VanDerWaalsContact O-N 3.16Å; D84-S86 PolarHBondContact OD1-N 3.22Å; D84-S86 VanDerWaalsContact OD2-CB 3.31Å; D84-S86 WeakPolarHBondContact OD2-CB 3.5Å; D84-S86 PolarHBondContact OD2-OG 3.09Å; D84-T87 HydrophobicContact CB-CG2 4.35Å; D84-T87 WeakPolarHBondContact O-CB 3.29Å; D84-T87 WeakPolarHBondContact O-CG2 3.37Å; D84-T87 PolarHBondContact O-N 3.35Å; D84-T87 PolarHBondContact O-OG1 3.38Å | ||
| 85 | I | 91.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -56 | -26 | 175.5 | 55.9 | 168.4 | 0 | 0 | 0 | 113 | I61 I76 V79 E80 R83 T87 F88 F89 F102 K103 | I61-I85 HydrophobicContact CD1-CB 4.03Å; I61-I85 HydrophobicContact CD1-CG2 4.07Å; I76-I85 HydrophobicContact CG2-CG2 4.49Å; V79-I85 HydrophobicContact CB-CG2 4.29Å; V79-I85 HydrophobicContact CG1-CG2 3.79Å; E80-I85 HydrophobicContact CG-CG2 3.88Å; E80-I85 VanDerWaalsContact OE1-CD1 3.28Å; E80-I85 WeakPolarHBondContact OE1-CD1 3.33Å; E80-I85 WeakPolarHBondContact OE1-CG1 3.38Å; R83-I85 PolarHBondContact O-N 2.93Å; I85-T87 PolarHBondContact O-N 3.09Å; I85-F88 PolarHBondContact O-N 3.49Å; I85-F89 VanDerWaalsContact O-CD2 3.23Å; I85-F89 WeakPolarHBondContact O-CD2 3.38Å; I85-F89 VanDerWaalsContact O-CE2 3.3Å; I85-F89 WeakPolarHBondContact O-CE2 3.49Å; I85-F102 HydrophobicContact CD1-CE1 4.29Å; I85-F102 HydrophobicContact CG1-CE1 4.44Å; I85-K103 HydrophobicContact CD1-CD 4.02Å; I85-K103 HydrophobicContact CD1-CG 4.07Å |
| 86 | S | 90.6 | Very high | 89.5 | Confident | 28 Ų | 28 | 54.4 Ų | 54.4 | 20% | 0.196 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -56.6 | -34.2 | 175.2 | 74.5 | 0 | 0 | 0 | 0 | 112.3 | D84 F88 F89 | D84-S86 PolarHBondContact O-N 3.27Å; D84-S86 VanDerWaalsContact O-N 3.16Å; D84-S86 PolarHBondContact OD1-N 3.22Å; D84-S86 VanDerWaalsContact OD2-CB 3.31Å; D84-S86 WeakPolarHBondContact OD2-CB 3.5Å; D84-S86 PolarHBondContact OD2-OG 3.09Å; S86-F88 PolarHBondContact O-N 2.93Å; S86-F88 VanDerWaalsContact O-N 3.07Å; S86-F89 PolarHBondContact O-N 3.49Å; S86-F89 VanDerWaalsContact O-N 3.1Å |
| 87 | T | 90.4 | Very high | 88.8 | Confident | 59 Ų | 59 | 56.3 Ų | 56.3 | 36% | 0.362 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -70.8 | -3 | -175.8 | 68.9 | 0 | 0 | 0 | 0 | 114.7 | R83 D84 I85 | R83-T87 PolarHBondContact NE-OG1 3.41Å; R83-T87 PolarHBondContact NH2-O 3.43Å; R83-T87 PolarHBondContact NH2-OG1 2.92Å; D84-T87 HydrophobicContact CB-CG2 4.35Å; D84-T87 WeakPolarHBondContact O-CB 3.29Å; D84-T87 WeakPolarHBondContact O-CG2 3.37Å; D84-T87 PolarHBondContact O-N 3.35Å; D84-T87 PolarHBondContact O-OG1 3.38Å; I85-T87 PolarHBondContact O-N 3.09Å |
| 88 | F | 91.9 | Very high | 88.3 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 2% | 0.022 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -85.8 | -13.5 | 172.3 | -73 | -96.4 | 0 | 0 | 0 | 113.1 | Y41 N60 I61 F64 V79 R83 I85 S86 | Y41-F88 PolarHBondContact OH-O 2.87Å; N60-F88 HydrophobicContact CB-CD1 3.68Å; N60-F88 HydrophobicContact CB-CE1 4.1Å; I61-F88 HydrophobicContact CD1-CB 4.23Å; I61-F88 HydrophobicContact CD1-CD2 4.11Å; I61-F88 HydrophobicContact CD1-CG 4.14Å; I61-F88 HydrophobicContact CG1-CB 4.17Å; I61-F88 HydrophobicContact CG1-CD1 3.86Å; I61-F88 HydrophobicContact CG1-CD2 3.72Å; I61-F88 HydrophobicContact CG1-CE1 4.09Å; I61-F88 HydrophobicContact CG1-CE2 3.97Å; I61-F88 HydrophobicContact CG1-CG 3.65Å; I61-F88 HydrophobicContact CG1-CZ 4.13Å; F64-F88 HydrophobicContact CB-CZ 4.41Å; F64-F88 HydrophobicContact CD2-CE1 4.4Å; F64-F88 HydrophobicContact CD2-CZ 4.08Å; F64-F88 HydrophobicContact CG-CZ 4.24Å; V79-F88 HydrophobicContact CG1-CE2 3.49Å; V79-F88 VanDerWaalsContact CG1-CE2 3.49Å; V79-F88 HydrophobicContact CG1-CZ 3.93Å; R83-F88 HydrophobicContact CG-CE2 3.84Å; R83-F88 HydrophobicContact CG-CZ 4.27Å; I85-F88 PolarHBondContact O-N 3.49Å; S86-F88 PolarHBondContact O-N 2.93Å; S86-F88 VanDerWaalsContact O-N 3.07Å |
| 89 | F | 93.6 | Very high | 87.9 | Confident | 5 Ų | 5 | 59.7 Ų | 59.7 | 2% | 0.022 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -117.3 | 148.3 | -169.8 | -57.3 | -97.1 | 0 | 0 | 0 | 111.6 | F54 I61 I85 S86 V93 L94 F102 V106 | F54-F89 HydrophobicContact CD2-CD1 4.13Å; F54-F89 AromaticContact CD2-CE1 3.67Å; F54-F89 HydrophobicContact CD2-CE1 3.67Å; F54-F89 HydrophobicContact CE2-CE1 4.04Å; F54-F89 HydrophobicContact CG-CE1 4.28Å; F54-F89 WeakPolarHBondContact O-CE1 3.34Å; I61-F89 HydrophobicContact CD1-CE2 3.73Å; I61-F89 HydrophobicContact CD1-CZ 4.04Å; I85-F89 VanDerWaalsContact O-CD2 3.23Å; I85-F89 WeakPolarHBondContact O-CD2 3.38Å; I85-F89 VanDerWaalsContact O-CE2 3.3Å; I85-F89 WeakPolarHBondContact O-CE2 3.49Å; S86-F89 PolarHBondContact O-N 3.49Å; S86-F89 VanDerWaalsContact O-N 3.1Å; F89-V93 HydrophobicContact CB-CB 4.19Å; F89-V93 HydrophobicContact CB-CG1 4.18Å; F89-V93 HydrophobicContact CD1-CG1 3.91Å; F89-V93 HydrophobicContact CG-CG1 4.35Å; F89-L94 HydrophobicContact CB-CD2 4.22Å; F89-L94 HydrophobicContact CB-CG 4.37Å; F89-F102 HydrophobicContact CD1-CE2 4.29Å; F89-F102 HydrophobicContact CD2-CE2 4.05Å; F89-F102 AromaticContact CD2-CZ 3.57Å; F89-F102 HydrophobicContact CD2-CZ 3.57Å; F89-F102 HydrophobicContact CE1-CE2 4.34Å; F89-F102 HydrophobicContact CE2-CE2 4.12Å; F89-F102 AromaticContact CE2-CZ 3.59Å; F89-F102 HydrophobicContact CE2-CZ 3.59Å; F89-F102 HydrophobicContact CG-CE2 4.14Å; F89-F102 HydrophobicContact CG-CZ 4.12Å; F89-F102 HydrophobicContact CZ-CE2 4.27Å; F89-F102 HydrophobicContact CZ-CZ 4.13Å; F89-V106 HydrophobicContact CE1-CG2 4.41Å; F89-V106 HydrophobicContact CE2-CG2 4.22Å; F89-V106 HydrophobicContact CZ-CG2 3.69Å |
| 90 | P | 91.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 36% | 0.359 | C | S | . | . | trans | -73.8 | 161.3 | 175.9 | 33.4 | -38 | 0 | 0 | 0 | 112.1 | L44 V47 A53 S92 V93 L94 | L44-P90 HydrophobicContact CD1-CB 4Å; L44-P90 HydrophobicContact CG-CB 4.03Å; L44-P90 VanDerWaalsContact O-CB 3.22Å; L44-P90 WeakPolarHBondContact O-CB 3.32Å; V47-P90 HydrophobicContact CB-CB 4.18Å; V47-P90 HydrophobicContact CB-CG 4.24Å; V47-P90 HydrophobicContact CG1-CG 4.43Å; A53-P90 HydrophobicContact CB-CG 3.6Å; P90-S92 WeakPolarHBondContact CG-OG 3.49Å; P90-S92 PolarHBondContact O-N 3.3Å; P90-S92 VanDerWaalsContact O-N 3.13Å; P90-V93 HydrophobicContact CG-CB 4.41Å; P90-V93 HydrophobicContact CG-CG2 3.85Å; P90-V93 PolarHBondContact O-N 3.38Å; P90-L94 PolarHBondContact O-N 2.98Å | ||
| 91 | P | 88.7 | Confident | 87.5 | Confident | 54 Ų | 54 | 68.6 Ų | 68.6 | 35% | 0.351 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -55.2 | -32.6 | 178.6 | -26.2 | 35.1 | 0 | 0 | 0 | 113.9 | V93 L94 Q95 | P91-V93 VanDerWaalsContact C-N 3.3Å; P91-V93 PolarHBondContact O-N 3.18Å; P91-L94 PolarHBondContact O-N 3.38Å; P91-Q95 WeakPolarHBondContact O-CB 3.4Å; P91-Q95 WeakPolarHBondContact O-CG 3.49Å; P91-Q95 PolarHBondContact O-N 3.26Å |
| 92 | S | 89.9 | Confident | 87.6 | Confident | 23 Ų | 23 | 61.3 Ų | 61.3 | 16% | 0.161 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.3 | -36.6 | 176.4 | 50.3 | 0 | 0 | 0 | 0 | 113.3 | V47 P90 N96 | V47-S92 WeakPolarHBondContact O-CB 3.39Å; V47-S92 PolarHBondContact O-OG 3.1Å; P90-S92 WeakPolarHBondContact CG-OG 3.49Å; P90-S92 PolarHBondContact O-N 3.3Å; P90-S92 VanDerWaalsContact O-N 3.13Å; S92-N96 PolarHBondContact O-ND2 3.18Å |
| 93 | V | 91.9 | Very high | 87.9 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -73.8 | -48.1 | 174.8 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | V50 A53 F54 F89 P90 P91 Q95 N96 V97 F102 | V50-V93 HydrophobicContact CG1-CG2 4.22Å; V50-V93 WeakPolarHBondContact O-CG2 3.36Å; A53-V93 HydrophobicContact CB-CG2 3.99Å; F54-V93 HydrophobicContact CB-CG1 4.29Å; F54-V93 HydrophobicContact CB-CG2 4.33Å; F54-V93 HydrophobicContact CD2-CG1 3.96Å; F89-V93 HydrophobicContact CB-CB 4.19Å; F89-V93 HydrophobicContact CB-CG1 4.18Å; F89-V93 HydrophobicContact CD1-CG1 3.91Å; F89-V93 HydrophobicContact CG-CG1 4.35Å; P90-V93 HydrophobicContact CG-CB 4.41Å; P90-V93 HydrophobicContact CG-CG2 3.85Å; P90-V93 PolarHBondContact O-N 3.38Å; P91-V93 VanDerWaalsContact C-N 3.3Å; P91-V93 PolarHBondContact O-N 3.18Å; V93-Q95 PolarHBondContact O-N 3.35Å; V93-N96 PolarHBondContact O-N 3.04Å; V93-N96 VanDerWaalsContact O-N 3.12Å; V93-V97 PolarHBondContact O-N 2.67Å; V93-F102 HydrophobicContact CG1-CE2 4.3Å |
| 94 | L | 90 | Very high | 88.1 | Confident | 56 Ų | 56 | 62 Ų | 62 | 29% | 0.293 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.8 | -23.1 | -177.2 | -58.2 | 176.9 | 0 | 0 | 0 | 113.1 | F89 P90 P91 K98 F102 | F89-L94 HydrophobicContact CB-CD2 4.22Å; F89-L94 HydrophobicContact CB-CG 4.37Å; P90-L94 PolarHBondContact O-N 2.98Å; P91-L94 PolarHBondContact O-N 3.38Å; L94-K98 VanDerWaalsContact O-CG 3.29Å; L94-K98 WeakPolarHBondContact O-CG 3Å; L94-F102 HydrophobicContact CD2-CD2 4.38Å; L94-F102 HydrophobicContact CD2-CE1 4.26Å; L94-F102 HydrophobicContact CD2-CE2 3.84Å; L94-F102 HydrophobicContact CD2-CZ 3.77Å |
| 95 | Q | 87.5 | Confident | 88.4 | Confident | 130 Ų | 130 | 59.6 Ų | 59.6 | 61% | 0.607 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -77.3 | -36 | 172.7 | -74.4 | 171.6 | 13.9 | 0 | 0 | 112.7 | P91 V93 K98 | P91-Q95 WeakPolarHBondContact O-CB 3.4Å; P91-Q95 WeakPolarHBondContact O-CG 3.49Å; P91-Q95 PolarHBondContact O-N 3.26Å; V93-Q95 PolarHBondContact O-N 3.35Å; Q95-K98 VanDerWaalsContact O-CE 3.23Å; Q95-K98 WeakPolarHBondContact O-CE 3.43Å |
| 96 | N | 85.7 | Confident | 88.5 | Confident | 114 Ų | 114 | 59.6 Ų | 59.6 | 61% | 0.61 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -79.8 | -37.6 | -178.5 | -83.8 | -75.3 | 0 | 0 | 0 | 113.3 | V50 S92 V93 | V50-N96 HydrophobicContact CG1-CB 4.14Å; S92-N96 PolarHBondContact O-ND2 3.18Å; V93-N96 PolarHBondContact O-N 3.04Å; V93-N96 VanDerWaalsContact O-N 3.12Å |
| 97 | V | 77 | Confident | 88.7 | Confident | 51 Ų | 51 | 62.2 Ų | 62.2 | 31% | 0.309 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -125.9 | 118.1 | 179.3 | -166.5 | 0 | 0 | 0 | 0 | 109.9 | V93 A101 F102 | V93-V97 PolarHBondContact O-N 2.67Å; V97-A101 HydrophobicContact CG1-CB 4.08Å; V97-F102 HydrophobicContact CB-CB 4.47Å; V97-F102 HydrophobicContact CG1-CB 4.02Å |
| 98 | K | 79.1 | Confident | 89 | Confident | 150 Ų | 150 | 63.9 Ų | 63.9 | 65% | 0.652 | 34% | 0.339 | S | S | * | . | trans | -117.3 | 151.7 | -170.9 | -71.2 | 175.9 | 178 | 167.7 | 0 | 113.6 | L94 Q95 A101 | L94-K98 VanDerWaalsContact O-CG 3.29Å; L94-K98 WeakPolarHBondContact O-CG 3Å; Q95-K98 VanDerWaalsContact O-CE 3.23Å; Q95-K98 WeakPolarHBondContact O-CE 3.43Å; K98-A101 PolarHBondContact O-N 3.09Å | ||
| 99 | G | 78.9 | Confident | 89.1 | Confident | 58 Ų | 58 | 64.8 Ų | 64.8 | 60% | 0.598 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | 57.6 | -133.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A101 F102 K103 | G99-A101 PolarHBondContact O-N 2.96Å; G99-F102 WeakPolarHBondContact O-CB 3.23Å; G99-F102 PolarHBondContact O-N 3.1Å; G99-F102 VanDerWaalsContact O-N 3.14Å; G99-K103 PolarHBondContact O-N 2.94Å |
| 100 | K | 82.9 | Confident | 89.2 | Confident | 198 Ų | 198 | 64.6 Ų | 64.6 | 86% | 0.861 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.7 | -30.1 | -176.3 | -66.1 | -176.2 | -179.9 | 179.1 | 0 | 113.3 | K104 | K100-K104 WeakPolarHBondContact O-CB 3.36Å; K100-K104 PolarHBondContact O-N 2.86Å |
| 101 | A | 87.8 | Confident | 89.3 | Confident | 61 Ų | 61 | 67.3 Ų | 67.3 | 50% | 0.504 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.4 | -39.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | V97 K98 G99 K104 A105 | V97-A101 HydrophobicContact CG1-CB 4.08Å; K98-A101 PolarHBondContact O-N 3.09Å; G99-A101 PolarHBondContact O-N 2.96Å; A101-K104 PolarHBondContact O-N 3.22Å; A101-A105 WeakPolarHBondContact O-CB 3.35Å; A101-A105 PolarHBondContact O-N 3.42Å |
| 102 | F | 92.2 | Very high | 89.5 | Confident | 13 Ų | 13 | 71.3 Ų | 71.3 | 6% | 0.057 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.5 | -51.9 | 177.7 | 170.1 | -103 | 0 | 0 | 0 | 111.8 | F54 I85 F89 V93 L94 V97 G99 K104 A105 V106 | F54-F102 HydrophobicContact CE2-CE2 4.5Å; I85-F102 HydrophobicContact CD1-CE1 4.29Å; I85-F102 HydrophobicContact CG1-CE1 4.44Å; F89-F102 HydrophobicContact CD1-CE2 4.29Å; F89-F102 HydrophobicContact CD2-CE2 4.05Å; F89-F102 AromaticContact CD2-CZ 3.57Å; F89-F102 HydrophobicContact CD2-CZ 3.57Å; F89-F102 HydrophobicContact CE1-CE2 4.34Å; F89-F102 HydrophobicContact CE2-CE2 4.12Å; F89-F102 AromaticContact CE2-CZ 3.59Å; F89-F102 HydrophobicContact CE2-CZ 3.59Å; F89-F102 HydrophobicContact CG-CE2 4.14Å; F89-F102 HydrophobicContact CG-CZ 4.12Å; F89-F102 HydrophobicContact CZ-CE2 4.27Å; F89-F102 HydrophobicContact CZ-CZ 4.13Å; V93-F102 HydrophobicContact CG1-CE2 4.3Å; L94-F102 HydrophobicContact CD2-CD2 4.38Å; L94-F102 HydrophobicContact CD2-CE1 4.26Å; L94-F102 HydrophobicContact CD2-CE2 3.84Å; L94-F102 HydrophobicContact CD2-CZ 3.77Å; V97-F102 HydrophobicContact CB-CB 4.47Å; V97-F102 HydrophobicContact CG1-CB 4.02Å; G99-F102 WeakPolarHBondContact O-CB 3.23Å; G99-F102 PolarHBondContact O-N 3.1Å; G99-F102 VanDerWaalsContact O-N 3.14Å; F102-K104 VanDerWaalsContact C-N 3.26Å; F102-K104 PolarHBondContact O-N 2.87Å; F102-A105 WeakPolarHBondContact O-CB 3.32Å; F102-A105 PolarHBondContact O-N 3.24Å; F102-A105 VanDerWaalsContact O-N 3.08Å; F102-V106 HydrophobicContact CD2-CG2 4.33Å; F102-V106 HydrophobicContact CE1-CG2 4.3Å; F102-V106 HydrophobicContact CE2-CG2 3.91Å; F102-V106 HydrophobicContact CZ-CG2 3.9Å; F102-V106 WeakPolarHBondContact O-CG2 3.46Å; F102-V106 PolarHBondContact O-N 2.78Å |
| 103 | K | 89.5 | Confident | 89.7 | Confident | 82 Ų | 82 | 70.4 Ų | 70.4 | 36% | 0.357 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.7 | -38.4 | 177.5 | -65.3 | -146.1 | 179.7 | -166.3 | 0 | 112 | E80 I85 G99 V106 Q107 | E80-K103 VanDerWaalsContact CD-NZ 3.27Å; E80-K103 IonicContact OE1-NZ 2.63Å; E80-K103 PolarHBondContact OE1-NZ 2.83Å; E80-K103 IonicContact OE2-NZ 3.17Å; E80-K103 PolarHBondContact OE2-NZ 3.25Å; I85-K103 HydrophobicContact CD1-CD 4.02Å; I85-K103 HydrophobicContact CD1-CG 4.07Å; G99-K103 PolarHBondContact O-N 2.94Å; K103-V106 PolarHBondContact O-N 2.7Å; K103-Q107 WeakPolarHBondContact O-CB 3.46Å; K103-Q107 VanDerWaalsContact O-CG 3.25Å; K103-Q107 WeakPolarHBondContact O-CG 3.37Å; K103-Q107 PolarHBondContact O-N 2.67Å |
| 104 | K | 91.8 | Very high | 89.7 | Confident | 134 Ų | 134 | 72.9 Ų | 72.9 | 58% | 0.583 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -67 | -38.1 | 175.4 | -169.1 | 174.7 | -177 | 179.8 | 0 | 112.8 | K100 A101 F102 N108 | K100-K104 WeakPolarHBondContact O-CB 3.36Å; K100-K104 PolarHBondContact O-N 2.86Å; A101-K104 PolarHBondContact O-N 3.22Å; F102-K104 VanDerWaalsContact C-N 3.26Å; F102-K104 PolarHBondContact O-N 2.87Å; K104-N108 WeakPolarHBondContact O-CB 3.29Å; K104-N108 PolarHBondContact O-N 2.95Å; K104-N108 PolarHBondContact O-OD1 2.85Å |
| 105 | A | 93.9 | Very high | 89.6 | Confident | 29 Ų | 29 | 75.9 Ų | 75.9 | 24% | 0.24 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.2 | -46.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F54 A101 F102 Q107 N108 Y109 | F54-A105 HydrophobicContact CE2-CB 4.09Å; F54-A105 HydrophobicContact CZ-CB 3.81Å; A101-A105 WeakPolarHBondContact O-CB 3.35Å; A101-A105 PolarHBondContact O-N 3.42Å; F102-A105 WeakPolarHBondContact O-CB 3.32Å; F102-A105 PolarHBondContact O-N 3.24Å; F102-A105 VanDerWaalsContact O-N 3.08Å; A105-Q107 PolarHBondContact O-N 2.88Å; A105-N108 PolarHBondContact O-N 2.86Å; A105-Y109 PolarHBondContact O-N 2.87Å |
| 106 | V | 94.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.9 | -45 | 177.4 | 175 | 0 | 0 | 0 | 0 | 110.9 | F54 I61 F89 F102 K103 N108 Y109 L110 | F54-V106 HydrophobicContact CE2-CG2 3.77Å; F54-V106 HydrophobicContact CZ-CG2 4.14Å; I61-V106 HydrophobicContact CD1-CG1 4.2Å; F89-V106 HydrophobicContact CE1-CG2 4.41Å; F89-V106 HydrophobicContact CE2-CG2 4.22Å; F89-V106 HydrophobicContact CZ-CG2 3.69Å; F102-V106 HydrophobicContact CD2-CG2 4.33Å; F102-V106 HydrophobicContact CE1-CG2 4.3Å; F102-V106 HydrophobicContact CE2-CG2 3.91Å; F102-V106 HydrophobicContact CZ-CG2 3.9Å; F102-V106 WeakPolarHBondContact O-CG2 3.46Å; F102-V106 PolarHBondContact O-N 2.78Å; K103-V106 PolarHBondContact O-N 2.7Å; V106-N108 PolarHBondContact O-N 3.03Å; V106-Y109 PolarHBondContact O-N 3.12Å; V106-L110 HydrophobicContact CG1-CD1 3.74Å; V106-L110 HydrophobicContact CG1-CG 4.25Å; V106-L110 WeakPolarHBondContact O-CB 3.36Å; V106-L110 WeakPolarHBondContact O-CG 3.22Å; V106-L110 PolarHBondContact O-N 3.28Å |
| 107 | Q | 94.5 | Very high | 89.9 | Confident | 83 Ų | 83 | 68.2 Ų | 68.2 | 39% | 0.388 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.3 | -47 | 173.5 | -75.2 | 168.6 | -17.1 | 0 | 0 | 112.4 | V72 I76 K103 A105 Y109 L110 A111 | V72-Q107 HydrophobicContact CG1-CB 4.22Å; V72-Q107 HydrophobicContact CG1-CG 4.2Å; I76-Q107 HydrophobicContact CD1-CG 3.41Å; I76-Q107 VanDerWaalsContact CD1-CG 3.41Å; K103-Q107 WeakPolarHBondContact O-CB 3.46Å; K103-Q107 VanDerWaalsContact O-CG 3.25Å; K103-Q107 WeakPolarHBondContact O-CG 3.37Å; K103-Q107 PolarHBondContact O-N 2.67Å; A105-Q107 PolarHBondContact O-N 2.88Å; Q107-Y109 VanDerWaalsContact C-N 3.28Å; Q107-Y109 PolarHBondContact O-N 2.81Å; Q107-L110 PolarHBondContact O-N 3.32Å; Q107-A111 WeakPolarHBondContact O-CB 3.45Å; Q107-A111 PolarHBondContact O-N 3.07Å |
| 108 | N | 95.2 | Very high | 90.4 | Very high | 94 Ų | 94 | 69.3 Ų | 69.3 | 50% | 0.503 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.5 | -29.4 | 179 | -73.5 | -5.5 | 0 | 0 | 0 | 113.2 | K104 A105 V106 | K104-N108 WeakPolarHBondContact O-CB 3.29Å; K104-N108 PolarHBondContact O-N 2.95Å; K104-N108 PolarHBondContact O-OD1 2.85Å; A105-N108 PolarHBondContact O-N 2.86Å; V106-N108 PolarHBondContact O-N 3.03Å |
| 109 | Y | 95.6 | Very high | 90.8 | Very high | 24 Ų | 24 | 65 Ų | 65 | 9% | 0.094 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -80.3 | -47.6 | 175.9 | -159.6 | -77.2 | 0 | 0 | 0 | 111.5 | F54 E55 C58 A105 V106 Q107 A111 K112 I113 | F54-Y109 HydrophobicContact CD1-CD2 4.45Å; F54-Y109 AromaticContact CE1-CD2 3.93Å; F54-Y109 HydrophobicContact CE1-CD2 3.93Å; F54-Y109 HydrophobicContact CE1-CG 4.2Å; E55-Y109 HydrophobicContact CB-CE2 4.35Å; E55-Y109 HydrophobicContact CG-CE2 3.71Å; E55-Y109 WeakPolarHBondContact CG-OH 3.49Å; E55-Y109 WeakPolarHBondContact OE1-CE2 2.96Å; E55-Y109 PolarHBondContact OE1-OH 3.38Å; C58-Y109 HydrophobicContact CB-CD1 3.48Å; C58-Y109 VanDerWaalsContact CB-CD1 3.48Å; C58-Y109 HydrophobicContact CB-CE1 4.14Å; C58-Y109 HydrophobicContact CB-CG 3.97Å; A105-Y109 PolarHBondContact O-N 2.87Å; V106-Y109 PolarHBondContact O-N 3.12Å; Q107-Y109 VanDerWaalsContact C-N 3.28Å; Q107-Y109 PolarHBondContact O-N 2.81Å; Y109-A111 PolarHBondContact O-N 2.72Å; Y109-K112 WeakPolarHBondContact O-CB 3.49Å; Y109-K112 PolarHBondContact O-N 3.12Å; Y109-I113 HydrophobicContact CD1-CD1 4.07Å; Y109-I113 HydrophobicContact CD1-CG1 4.25Å; Y109-I113 HydrophobicContact CD1-CG2 4.46Å; Y109-I113 HydrophobicContact CE1-CD1 4.07Å; Y109-I113 HydrophobicContact CE1-CG1 4.42Å; Y109-I113 HydrophobicContact CE1-CG2 3.96Å; Y109-I113 PolarHBondContact O-N 2.76Å |
| 110 | L | 94.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57 | -34.7 | 175.9 | -72.2 | 171.8 | 0 | 0 | 0 | 112.2 | C58 I61 R62 V72 I76 V106 Q107 K112 I113 I114 | C58-L110 WeakPolarHBondContact O-CD2 3.44Å; I61-L110 HydrophobicContact CB-CD2 4.33Å; I61-L110 HydrophobicContact CG2-CD1 3.83Å; I61-L110 HydrophobicContact CG2-CD2 3.9Å; I61-L110 HydrophobicContact CG2-CG 4.48Å; R62-L110 HydrophobicContact CB-CD2 4.14Å; V72-L110 HydrophobicContact CG1-CB 3.77Å; V72-L110 HydrophobicContact CG1-CD1 4.25Å; V72-L110 HydrophobicContact CG2-CB 4.33Å; I76-L110 HydrophobicContact CD1-CD1 4.03Å; I76-L110 HydrophobicContact CG1-CD1 3.85Å; V106-L110 HydrophobicContact CG1-CD1 3.74Å; V106-L110 HydrophobicContact CG1-CG 4.25Å; V106-L110 WeakPolarHBondContact O-CB 3.36Å; V106-L110 WeakPolarHBondContact O-CG 3.22Å; V106-L110 PolarHBondContact O-N 3.28Å; Q107-L110 PolarHBondContact O-N 3.32Å; L110-K112 PolarHBondContact O-N 3.29Å; L110-I113 HydrophobicContact CD2-CD1 4.3Å; L110-I113 HydrophobicContact CD2-CG1 4.47Å; L110-I113 PolarHBondContact O-N 3.27Å; L110-I114 WeakPolarHBondContact O-CA 3.42Å; L110-I114 WeakPolarHBondContact O-CB 3.47Å; L110-I114 PolarHBondContact O-N 2.96Å |
| 111 | A | 93.8 | Very high | 91.8 | Very high | 57 Ų | 57 | 54.9 Ų | 54.9 | 47% | 0.471 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.5 | -26.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V72 Q107 Y109 I114 | V72-A111 HydrophobicContact CG2-CB 4.07Å; Q107-A111 WeakPolarHBondContact O-CB 3.45Å; Q107-A111 PolarHBondContact O-N 3.07Å; Y109-A111 PolarHBondContact O-N 2.72Å; A111-I114 WeakPolarHBondContact O-CG2 3.46Å |
| 112 | K | 93.9 | Very high | 92 | Very high | 138 Ų | 138 | 52 Ų | 52 | 60% | 0.6 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -78.1 | -48.2 | 175.4 | -55.4 | 174.1 | -174.5 | 177.1 | 0 | 111.1 | Y109 L110 H115 | Y109-K112 WeakPolarHBondContact O-CB 3.49Å; Y109-K112 PolarHBondContact O-N 3.12Å; L110-K112 PolarHBondContact O-N 3.29Å; K112-H115 PolarHBondContact O-CE1 2.81Å; K112-H115 PolarHBondContact O-ND1 2.9Å |
| 113 | I | 93.4 | Very high | 91.9 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -92.6 | 4.5 | -173.2 | 63.4 | 166.2 | 0 | 0 | 0 | 114.6 | L59 R62 Y109 L110 H115 Y116 | L59-I113 HydrophobicContact CD2-CD1 3.8Å; L59-I113 HydrophobicContact CG-CD1 4.08Å; R62-I113 HydrophobicContact CB-CD1 3.74Å; R62-I113 HydrophobicContact CB-CG1 4.35Å; R62-I113 HydrophobicContact CG-CD1 4.24Å; R62-I113 HydrophobicContact CG-CG1 4.46Å; Y109-I113 HydrophobicContact CD1-CD1 4.07Å; Y109-I113 HydrophobicContact CD1-CG1 4.25Å; Y109-I113 HydrophobicContact CD1-CG2 4.46Å; Y109-I113 HydrophobicContact CE1-CD1 4.07Å; Y109-I113 HydrophobicContact CE1-CG1 4.42Å; Y109-I113 HydrophobicContact CE1-CG2 3.96Å; Y109-I113 PolarHBondContact O-N 2.76Å; L110-I113 HydrophobicContact CD2-CD1 4.3Å; L110-I113 HydrophobicContact CD2-CG1 4.47Å; L110-I113 PolarHBondContact O-N 3.27Å; I113-H115 PolarHBondContact O-N 3.09Å; I113-H115 VanDerWaalsContact O-N 3.07Å; I113-Y116 HydrophobicContact CB-CD1 4.34Å; I113-Y116 HydrophobicContact CB-CD2 3.99Å; I113-Y116 HydrophobicContact CB-CE2 4.18Å; I113-Y116 HydrophobicContact CB-CG 4.09Å; I113-Y116 HydrophobicContact CG2-CD2 4.1Å; I113-Y116 HydrophobicContact CG2-CE1 4.29Å; I113-Y116 HydrophobicContact CG2-CE2 3.76Å; I113-Y116 WeakPolarHBondContact O-CB 3.37Å; I113-Y116 PolarHBondContact O-N 3.37Å |
| 114 | I | 91 | Very high | 92 | Very high | 53 Ų | 53 | 48.9 Ų | 48.9 | 27% | 0.272 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -36.7 | 179.1 | -174 | 164.9 | 0 | 0 | 0 | 112.7 | R62 L70 V72 I75 L110 A111 Y116 | R62-I114 PolarHBondContact NE-O 3.04Å; R62-I114 VanDerWaalsContact NE-O 3.09Å; L70-I114 WeakPolarHBondContact O-CD1 3.11Å; V72-I114 HydrophobicContact CG2-CD1 3.98Å; I75-I114 HydrophobicContact CD1-CG1 4.39Å; L110-I114 WeakPolarHBondContact O-CA 3.42Å; L110-I114 WeakPolarHBondContact O-CB 3.47Å; L110-I114 PolarHBondContact O-N 2.96Å; A111-I114 WeakPolarHBondContact O-CG2 3.46Å; I114-Y116 VanDerWaalsContact C-N 3.34Å; I114-Y116 PolarHBondContact O-N 3.38Å |
| 115 | H | 88.9 | Confident | 92.2 | Very high | 120 Ų | 120 | 42.5 Ų | 42.5 | 56% | 0.556 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -5.4 | -177.3 | 72.3 | -85.9 | 0 | 0 | 0 | 115 | K112 I113 | K112-H115 PolarHBondContact O-CE1 2.81Å; K112-H115 PolarHBondContact O-ND1 2.9Å; I113-H115 PolarHBondContact O-N 3.09Å; I113-H115 VanDerWaalsContact O-N 3.07Å |
| 116 | Y | 91.2 | Very high | 92.1 | Very high | 44 Ų | 44 | 41.1 Ų | 41.1 | 17% | 0.173 | 21% | 0.208 | C | C | . | . | trans | -66.7 | 143.9 | 179.1 | -77.6 | 15.2 | 0 | 0 | 0 | 111 | L59 R62 I113 I114 D120 D124 | L59-Y116 HydrophobicContact CD2-CD2 4.1Å; L59-Y116 HydrophobicContact CD2-CE2 4.12Å; R62-Y116 PolarHBondContact NE-O 2.88Å; R62-Y116 PolarHBondContact NH2-O 3.27Å; I113-Y116 HydrophobicContact CB-CD1 4.34Å; I113-Y116 HydrophobicContact CB-CD2 3.99Å; I113-Y116 HydrophobicContact CB-CE2 4.18Å; I113-Y116 HydrophobicContact CB-CG 4.09Å; I113-Y116 HydrophobicContact CG2-CD2 4.1Å; I113-Y116 HydrophobicContact CG2-CE1 4.29Å; I113-Y116 HydrophobicContact CG2-CE2 3.76Å; I113-Y116 WeakPolarHBondContact O-CB 3.37Å; I113-Y116 PolarHBondContact O-N 3.37Å; I114-Y116 VanDerWaalsContact C-N 3.34Å; I114-Y116 PolarHBondContact O-N 3.38Å; Y116-D120 HydrophobicContact CD2-CB 4.09Å; Y116-D120 HydrophobicContact CG-CB 4.01Å; Y116-D124 HydrophobicContact CE2-CB 4.34Å | ||
| 117 | S | 88.1 | Confident | 91.9 | Very high | 39 Ų | 39 | 42.2 Ų | 42.2 | 27% | 0.273 | 21% | 0.214 | S | C | . | . | trans | -74.5 | 177 | 166 | 66.7 | 0 | 0 | 0 | 0 | 111.6 | E119 D120 C121 | S117-E119 VanDerWaalsContact C-N 3.27Å; S117-E119 WeakPolarHBondContact CB-OE2 3.5Å; S117-E119 PolarHBondContact OG-OE2 2.99Å; S117-D120 VanDerWaalsContact CB-OD2 3.31Å; S117-D120 WeakPolarHBondContact CB-OD2 3.42Å; S117-D120 PolarHBondContact N-OD2 3.46Å; S117-D120 PolarHBondContact OG-N 3.37Å; S117-D120 PolarHBondContact OG-OD2 2.81Å; S117-C121 PolarHBondContact O-N 3.24Å; S117-C121 PolarHBondContact O-SG 3.2Å | ||
| 118 | E | 87.4 | Confident | 91.8 | Very high | 73 Ų | 73 | 39 Ų | 39 | 34% | 0.341 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -67.3 | -36.8 | 174.5 | -165.2 | -171.7 | -146.3 | 0 | 0 | 110.3 | R26 F30 C121 A122 | R26-E118 IonicContact NH2-OE2 3.6Å; R26-E118 PolarHBondContact NH2-OE2 3.48Å; F30-E118 HydrophobicContact CE1-CB 4.43Å; F30-E118 HydrophobicContact CE1-CG 3.67Å; F30-E118 HydrophobicContact CZ-CB 4.05Å; F30-E118 HydrophobicContact CZ-CG 3.7Å; E118-C121 PolarHBondContact O-N 3.06Å; E118-A122 WeakPolarHBondContact O-CB 3.47Å; E118-A122 PolarHBondContact O-N 2.7Å |
| 119 | E | 88 | Confident | 91.6 | Very high | 60 Ų | 60 | 34.6 Ų | 34.6 | 28% | 0.28 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -68.5 | -44.2 | 178.3 | -54.4 | 90.4 | 136.8 | 0 | 0 | 111.8 | R26 L29 F30 S117 C121 A122 L123 | R26-E119 IonicContact CZ-OE1 3.99Å; R26-E119 VanDerWaalsContact CZ-OE1 3.27Å; R26-E119 IonicContact NH1-OE1 3.69Å; R26-E119 PolarHBondContact NH1-OE1 3.07Å; R26-E119 IonicContact NH2-OE1 2.67Å; R26-E119 PolarHBondContact NH2-OE1 2.71Å; R26-E119 IonicContact NH2-OE2 3.17Å; L29-E119 HydrophobicContact CD2-CB 4.28Å; F30-E119 HydrophobicContact CE2-CG 4.2Å; F30-E119 HydrophobicContact CZ-CG 4.06Å; S117-E119 VanDerWaalsContact C-N 3.27Å; S117-E119 WeakPolarHBondContact CB-OE2 3.5Å; S117-E119 PolarHBondContact OG-OE2 2.99Å; E119-C121 VanDerWaalsContact C-N 3.33Å; E119-A122 PolarHBondContact O-N 2.92Å; E119-L123 WeakPolarHBondContact O-CB 3.41Å; E119-L123 WeakPolarHBondContact O-CG 3.34Å; E119-L123 PolarHBondContact O-N 2.91Å |
| 120 | D | 90.2 | Very high | 91.3 | Very high | 44 Ų | 44 | 33.7 Ų | 33.7 | 24% | 0.235 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.3 | -44.3 | 173.1 | -64 | -50.6 | 0 | 0 | 0 | 110.4 | Y116 S117 A122 L123 D124 | Y116-D120 HydrophobicContact CD2-CB 4.09Å; Y116-D120 HydrophobicContact CG-CB 4.01Å; S117-D120 VanDerWaalsContact CB-OD2 3.31Å; S117-D120 WeakPolarHBondContact CB-OD2 3.42Å; S117-D120 PolarHBondContact N-OD2 3.46Å; S117-D120 PolarHBondContact OG-N 3.37Å; S117-D120 PolarHBondContact OG-OD2 2.81Å; D120-A122 PolarHBondContact O-N 3.5Å; D120-L123 PolarHBondContact O-N 3.27Å; D120-D124 WeakPolarHBondContact O-CB 3.34Å; D120-D124 PolarHBondContact O-N 2.89Å |
| 121 | C | 92.2 | Very high | 91 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.6 | -42.2 | 176.5 | -65.1 | 0 | 0 | 0 | 0 | 112 | R62 S117 E118 E119 L125 | R62-C121 WeakPolarHBondContact CG-SG 3.49Å; S117-C121 PolarHBondContact O-N 3.24Å; S117-C121 PolarHBondContact O-SG 3.2Å; E118-C121 PolarHBondContact O-N 3.06Å; E119-C121 VanDerWaalsContact C-N 3.33Å; C121-L125 WeakPolarHBondContact O-CB 3.23Å; C121-L125 WeakPolarHBondContact O-CD1 3.49Å; C121-L125 WeakPolarHBondContact O-CG 3.32Å; C121-L125 PolarHBondContact O-N 3.24Å |
| 122 | A | 91.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64 | -45.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L29 F30 H33 E118 E119 D120 L126 | L29-A122 HydrophobicContact CD1-CB 4.01Å; L29-A122 HydrophobicContact CD2-CB 4.39Å; L29-A122 HydrophobicContact CG-CB 4.09Å; F30-A122 HydrophobicContact CD1-CB 4.18Å; F30-A122 HydrophobicContact CE1-CB 3.74Å; F30-A122 HydrophobicContact CZ-CB 4.44Å; H33-A122 HydrophobicContact CB-CB 4.07Å; E118-A122 WeakPolarHBondContact O-CB 3.47Å; E118-A122 PolarHBondContact O-N 2.7Å; E119-A122 PolarHBondContact O-N 2.92Å; D120-A122 PolarHBondContact O-N 3.5Å; A122-L126 WeakPolarHBondContact O-CB 3.47Å; A122-L126 VanDerWaalsContact O-CG 3.28Å; A122-L126 WeakPolarHBondContact O-CG 3.3Å; A122-L126 PolarHBondContact O-N 2.68Å |
| 123 | L | 90.4 | Very high | 90.4 | Very high | 12 Ų | 12 | 31.1 Ų | 31.1 | 6% | 0.063 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.7 | -42.9 | 177.1 | -72.1 | 167.7 | 0 | 0 | 0 | 112.1 | E19 R23 L29 E119 D120 L125 L126 N127 | E19-L123 HydrophobicContact CB-CD2 4.26Å; R23-L123 HydrophobicContact CB-CD1 4.37Å; L29-L123 HydrophobicContact CD1-CD2 3.61Å; L29-L123 HydrophobicContact CD1-CG 3.84Å; L29-L123 HydrophobicContact CD2-CD2 4.49Å; L29-L123 HydrophobicContact CD2-CG 4.17Å; E119-L123 WeakPolarHBondContact O-CB 3.41Å; E119-L123 WeakPolarHBondContact O-CG 3.34Å; E119-L123 PolarHBondContact O-N 2.91Å; D120-L123 PolarHBondContact O-N 3.27Å; L123-L125 VanDerWaalsContact C-N 3.34Å; L123-L126 PolarHBondContact O-N 2.71Å; L123-N127 PolarHBondContact O-N 3.08Å; L123-N127 VanDerWaalsContact O-N 3.07Å; L123-N127 PolarHBondContact O-ND2 2.88Å |
| 124 | D | 92.2 | Very high | 90.1 | Very high | 17 Ų | 17 | 34.8 Ų | 34.8 | 9% | 0.091 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -76 | -23.7 | -177.7 | -158.4 | 42.6 | 0 | 0 | 0 | 112.4 | L59 Y116 D120 R128 | L59-D124 HydrophobicContact CD1-CB 4.48Å; L59-D124 HydrophobicContact CD2-CB 4.33Å; Y116-D124 HydrophobicContact CE2-CB 4.34Å; D120-D124 WeakPolarHBondContact O-CB 3.34Å; D120-D124 PolarHBondContact O-N 2.89Å; D124-R128 WeakPolarHBondContact O-CG 3.45Å; D124-R128 PolarHBondContact O-NH1 2.66Å; D124-R128 IonicContact OD1-CZ 3.83Å; D124-R128 IonicContact OD1-NH1 2.73Å; D124-R128 PolarHBondContact OD1-NH1 3.48Å; D124-R128 IonicContact OD2-CZ 2.77Å; D124-R128 IonicContact OD2-NH1 2.77Å; D124-R128 PolarHBondContact OD2-NH1 3.33Å; D124-R128 IonicContact OD2-NH2 3.6Å |
| 125 | L | 94.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -72.1 | -46.8 | 164.9 | -79.3 | 170 | 0 | 0 | 0 | 112.3 | H33 I56 L59 N60 C121 L123 N127 R128 Y129 | H33-L125 VanDerWaalsContact NE2-CD1 3.33Å; H33-L125 WeakPolarHBondContact NE2-CD1 3.36Å; I56-L125 HydrophobicContact CB-CD2 4.29Å; I56-L125 HydrophobicContact CG1-CD2 4.36Å; I56-L125 HydrophobicContact CG2-CD2 3.99Å; L59-L125 HydrophobicContact CB-CD1 4.22Å; L59-L125 HydrophobicContact CB-CD2 3.48Å; L59-L125 VanDerWaalsContact CB-CD2 3.48Å; L59-L125 HydrophobicContact CB-CG 3.71Å; L59-L125 HydrophobicContact CD1-CD2 4.11Å; L59-L125 HydrophobicContact CD1-CG 4.33Å; L59-L125 HydrophobicContact CG-CD2 4.44Å; N60-L125 VanDerWaalsContact ND2-CD2 3.27Å; N60-L125 WeakPolarHBondContact ND2-CD2 3.4Å; C121-L125 WeakPolarHBondContact O-CB 3.23Å; C121-L125 WeakPolarHBondContact O-CD1 3.49Å; C121-L125 WeakPolarHBondContact O-CG 3.32Å; C121-L125 PolarHBondContact O-N 3.24Å; L123-L125 VanDerWaalsContact C-N 3.34Å; L125-N127 VanDerWaalsContact C-N 3.29Å; L125-N127 PolarHBondContact O-N 3.43Å; L125-R128 PolarHBondContact O-N 3.45Å; L125-Y129 HydrophobicContact CB-CD2 4.21Å; L125-Y129 HydrophobicContact CB-CE2 3.86Å; L125-Y129 HydrophobicContact CD2-CE2 4.37Å; L125-Y129 VanDerWaalsContact O-CD2 3.31Å; L125-Y129 WeakPolarHBondContact O-CD2 3.31Å; L125-Y129 PolarHBondContact O-N 3.14Å |
| 126 | L | 91.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.9 | -42.5 | 178.5 | -81.7 | 169 | 0 | 0 | 0 | 112.2 | F18 L29 L32 H33 T36 A122 L123 R128 Y129 L130 F135 | F18-L126 HydrophobicContact CE2-CB 4.22Å; L29-L126 HydrophobicContact CD1-CD1 3.64Å; L32-L126 HydrophobicContact CD2-CD1 4.46Å; L32-L126 HydrophobicContact CD2-CD2 4.26Å; L32-L126 HydrophobicContact CG-CD1 4.43Å; L32-L126 HydrophobicContact CG-CD2 3.79Å; H33-L126 HydrophobicContact CB-CD1 4.36Å; H33-L126 HydrophobicContact CB-CG 4.38Å; T36-L126 HydrophobicContact CG2-CD2 3.78Å; T36-L126 VanDerWaalsContact OG1-CD2 3.3Å; T36-L126 WeakPolarHBondContact OG1-CD2 3.36Å; A122-L126 WeakPolarHBondContact O-CB 3.47Å; A122-L126 VanDerWaalsContact O-CG 3.28Å; A122-L126 WeakPolarHBondContact O-CG 3.3Å; A122-L126 PolarHBondContact O-N 2.68Å; L123-L126 PolarHBondContact O-N 2.71Å; L126-R128 VanDerWaalsContact C-N 3.26Å; L126-R128 PolarHBondContact O-N 2.7Å; L126-Y129 PolarHBondContact O-N 3.08Å; L126-L130 WeakPolarHBondContact O-CB 3.49Å; L126-L130 PolarHBondContact O-N 3.26Å; L126-F135 HydrophobicContact CD2-CE1 4.26Å; L126-F135 HydrophobicContact CD2-CZ 3.84Å |
| 127 | N | 90.6 | Very high | 89.6 | Confident | 22 Ų | 22 | 28.3 Ų | 28.3 | 12% | 0.118 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.1 | -34 | 174.7 | -81.8 | -66.3 | 0 | 0 | 0 | 113.5 | L123 L125 | L123-N127 PolarHBondContact O-N 3.08Å; L123-N127 VanDerWaalsContact O-N 3.07Å; L123-N127 PolarHBondContact O-ND2 2.88Å; L125-N127 VanDerWaalsContact C-N 3.29Å; L125-N127 PolarHBondContact O-N 3.43Å |
| 128 | R | 92.7 | Very high | 89.7 | Confident | 17 Ų | 17 | 28 Ų | 28 | 6% | 0.064 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -83 | -37.3 | 178.1 | -63.9 | -177.9 | 167.8 | 68 | -4.6 | 112.4 | L52 E55 I56 D124 L125 L126 L130 V131 L132 | L52-R128 HydrophobicContact CD1-CB 3.82Å; L52-R128 HydrophobicContact CD1-CG 3.6Å; L52-R128 HydrophobicContact CG-CB 4.41Å; E55-R128 IonicContact OE1-NH2 2.71Å; E55-R128 IonicContact OE2-CZ 3.7Å; E55-R128 IonicContact OE2-NE 2.75Å; E55-R128 PolarHBondContact OE2-NE 2.82Å; E55-R128 IonicContact OE2-NH2 3.38Å; E55-R128 PolarHBondContact OE2-NH2 3.12Å; I56-R128 HydrophobicContact CD1-CB 3.85Å; I56-R128 HydrophobicContact CG1-CB 3.66Å; I56-R128 HydrophobicContact CG1-CG 4.46Å; D124-R128 WeakPolarHBondContact O-CG 3.45Å; D124-R128 PolarHBondContact O-NH1 2.66Å; D124-R128 IonicContact OD1-CZ 3.83Å; D124-R128 IonicContact OD1-NH1 2.73Å; D124-R128 PolarHBondContact OD1-NH1 3.48Å; D124-R128 IonicContact OD2-CZ 2.77Å; D124-R128 IonicContact OD2-NH1 2.77Å; D124-R128 PolarHBondContact OD2-NH1 3.33Å; D124-R128 IonicContact OD2-NH2 3.6Å; L125-R128 PolarHBondContact O-N 3.45Å; L126-R128 VanDerWaalsContact C-N 3.26Å; L126-R128 PolarHBondContact O-N 2.7Å; R128-L130 PolarHBondContact O-N 3.24Å; R128-V131 PolarHBondContact O-N 3.22Å; R128-L132 PolarHBondContact O-N 2.94Å |
| 129 | Y | 92.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.9 | -33.9 | 169.8 | -66.5 | -37.2 | 0 | 0 | 0 | 111.7 | T36 R37 Y40 I56 N60 L125 L126 V131 L132 L133 | T36-Y129 VanDerWaalsContact OG1-CD2 3.29Å; T36-Y129 WeakPolarHBondContact OG1-CD2 3.14Å; R37-Y129 HydrophobicContact CB-CE2 4.13Å; Y40-Y129 VanDerWaalsContact CB-CE1 3.47Å; Y40-Y129 AromaticContact CD1-CE1 3.69Å; Y40-Y129 HydrophobicContact CD1-CE1 3.69Å; Y40-Y129 AromaticContact CD2-CD1 3.92Å; Y40-Y129 HydrophobicContact CD2-CD1 3.92Å; Y40-Y129 AromaticContact CD2-CE1 3.7Å; Y40-Y129 HydrophobicContact CD2-CE1 3.7Å; Y40-Y129 HydrophobicContact CE1-CE1 4.33Å; Y40-Y129 HydrophobicContact CE2-CE1 4.33Å; Y40-Y129 AromaticContact CG-CD1 3.9Å; Y40-Y129 HydrophobicContact CG-CD1 3.9Å; Y40-Y129 AromaticContact CG-CE1 3.33Å; Y40-Y129 HydrophobicContact CG-CE1 3.33Å; I56-Y129 HydrophobicContact CD1-CD1 4.09Å; I56-Y129 HydrophobicContact CD1-CE1 4.12Å; I56-Y129 HydrophobicContact CG1-CE1 4.43Å; I56-Y129 HydrophobicContact CG2-CE1 3.63Å; N60-Y129 PolarHBondContact ND2-OH 3.37Å; L125-Y129 HydrophobicContact CB-CD2 4.21Å; L125-Y129 HydrophobicContact CB-CE2 3.86Å; L125-Y129 HydrophobicContact CD2-CE2 4.37Å; L125-Y129 VanDerWaalsContact O-CD2 3.31Å; L125-Y129 WeakPolarHBondContact O-CD2 3.31Å; L125-Y129 PolarHBondContact O-N 3.14Å; L126-Y129 PolarHBondContact O-N 3.08Å; Y129-V131 VanDerWaalsContact C-N 3.32Å; Y129-V131 PolarHBondContact O-N 3.15Å; Y129-L132 PolarHBondContact O-N 3Å; Y129-L133 HydrophobicContact CD1-CD1 4.44Å; Y129-L133 HydrophobicContact CG-CD1 4.48Å; Y129-L133 WeakPolarHBondContact O-CA 3.31Å; Y129-L133 WeakPolarHBondContact O-CB 3.33Å; Y129-L133 WeakPolarHBondContact O-CG 3.31Å; Y129-L133 PolarHBondContact O-N 3.38Å |
| 130 | L | 88.9 | Confident | 90.1 | Very high | 5 Ų | 5 | 26.2 Ų | 26.2 | 3% | 0.026 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.5 | -37 | 176.8 | -173.8 | 68.8 | 0 | 0 | 0 | 112.3 | F18 L126 R128 Q134 F135 D136 Y819 | F18-L130 HydrophobicContact CE1-CD2 3.78Å; F18-L130 HydrophobicContact CZ-CD2 4.03Å; L126-L130 WeakPolarHBondContact O-CB 3.49Å; L126-L130 PolarHBondContact O-N 3.26Å; R128-L130 PolarHBondContact O-N 3.24Å; L130-Q134 VanDerWaalsContact O-CA 3.22Å; L130-Q134 WeakPolarHBondContact O-CA 3.45Å; L130-Q134 PolarHBondContact O-N 3.37Å; L130-Q134 VanDerWaalsContact O-N 3.09Å; L130-F135 HydrophobicContact CB-CE1 3.85Å; L130-F135 HydrophobicContact CB-CZ 4.24Å; L130-F135 HydrophobicContact CD1-CD1 4.44Å; L130-F135 HydrophobicContact CD1-CE1 4.13Å; L130-F135 HydrophobicContact CD1-CE2 4.31Å; L130-F135 HydrophobicContact CD1-CZ 4.04Å; L130-F135 VanDerWaalsContact N-CE1 3.35Å; L130-D136 HydrophobicContact CD1-CB 3.7Å; L130-D136 VanDerWaalsContact CD1-OD1 3.25Å; L130-D136 WeakPolarHBondContact CD1-OD1 3.38Å; L130-Y819 HydrophobicContact CD2-CE1 4.42Å |
| 131 | V | 88.2 | Confident | 90.1 | Very high | 39 Ų | 39 | 30.7 Ų | 30.7 | 24% | 0.236 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -72.1 | -44.4 | 178 | 177.3 | 0 | 0 | 0 | 0 | 111.6 | L52 R128 Y129 I818 | L52-V131 HydrophobicContact CD2-CB 3.92Å; L52-V131 HydrophobicContact CD2-CG1 3.68Å; R128-V131 PolarHBondContact O-N 3.22Å; Y129-V131 VanDerWaalsContact C-N 3.32Å; Y129-V131 PolarHBondContact O-N 3.15Å; V131-I818 HydrophobicContact CG2-CG2 3.34Å |
| 132 | L | 87 | Confident | 90 | Very high | 50 Ų | 50 | 31.2 Ų | 31.2 | 26% | 0.262 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -79.4 | -41.8 | -176.5 | -69.6 | -177 | 0 | 0 | 0 | 114 | Y40 V47 D49 L52 I56 R128 Y129 | Y40-L132 HydrophobicContact CD2-CD1 4.36Å; Y40-L132 HydrophobicContact CE2-CD1 3.84Å; V47-L132 HydrophobicContact CG1-CD1 4.06Å; D49-L132 HydrophobicContact CB-CD2 3.93Å; L52-L132 HydrophobicContact CD2-CD1 4.35Å; L52-L132 HydrophobicContact CD2-CD2 3.75Å; L52-L132 HydrophobicContact CD2-CG 3.7Å; L52-L132 HydrophobicContact CG-CD1 4.32Å; L52-L132 HydrophobicContact CG-CD2 4.41Å; L52-L132 HydrophobicContact CG-CG 4.21Å; I56-L132 HydrophobicContact CD1-CD1 3.45Å; I56-L132 VanDerWaalsContact CD1-CD1 3.45Å; I56-L132 HydrophobicContact CD1-CG 4.47Å; R128-L132 PolarHBondContact O-N 2.94Å; Y129-L132 PolarHBondContact O-N 3Å |
| 133 | L | 86.6 | Confident | 89.7 | Confident | 54 Ų | 54 | 36.6 Ų | 36.6 | 28% | 0.283 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -100.1 | -24.1 | -172.3 | -50.9 | 179.9 | 0 | 0 | 0 | 112.8 | I39 Y129 F135 | I39-L133 HydrophobicContact CB-CD1 4.11Å; I39-L133 HydrophobicContact CG2-CD1 3.91Å; I39-L133 HydrophobicContact CG2-CD2 4.33Å; Y129-L133 HydrophobicContact CD1-CD1 4.44Å; Y129-L133 HydrophobicContact CG-CD1 4.48Å; Y129-L133 WeakPolarHBondContact O-CA 3.31Å; Y129-L133 WeakPolarHBondContact O-CB 3.33Å; Y129-L133 WeakPolarHBondContact O-CG 3.31Å; Y129-L133 PolarHBondContact O-N 3.38Å; L133-F135 HydrophobicContact CB-CB 4.38Å; L133-F135 HydrophobicContact CB-CD1 4.46Å; L133-F135 PolarHBondContact O-N 3.49Å |
| 134 | Q | 88.2 | Confident | 89.4 | Confident | 80 Ų | 80 | 38.3 Ų | 38.3 | 37% | 0.374 | 18% | 0.183 | S | C | . | . | trans | 55.1 | 36.2 | -176.8 | -56.2 | 171.1 | 10.8 | 0 | 0 | 112.3 | L130 D136 R137 | L130-Q134 VanDerWaalsContact O-CA 3.22Å; L130-Q134 WeakPolarHBondContact O-CA 3.45Å; L130-Q134 PolarHBondContact O-N 3.37Å; L130-Q134 VanDerWaalsContact O-N 3.09Å; Q134-D136 PolarHBondContact O-N 2.78Å; Q134-R137 PolarHBondContact O-N 2.78Å | ||
| 135 | F | 86.5 | Confident | 88.4 | Confident | 26 Ų | 26 | 38.6 Ų | 38.6 | 11% | 0.114 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -8.8 | -169.1 | 67.5 | -104.8 | 0 | 0 | 0 | 115.1 | F14 F18 L32 T36 L126 L130 L133 R137 | F14-F135 HydrophobicContact CD1-CE2 4.48Å; F14-F135 AromaticContact CE1-CD2 3.97Å; F14-F135 HydrophobicContact CE1-CD2 3.97Å; F14-F135 HydrophobicContact CE1-CE2 4.05Å; F14-F135 WeakPolarHBondContact CE2-O 3.43Å; F14-F135 AromaticContact CZ-CD2 3.95Å; F14-F135 HydrophobicContact CZ-CD2 3.95Å; F14-F135 HydrophobicContact CZ-CE2 4.49Å; F14-F135 WeakPolarHBondContact CZ-O 3.12Å; F18-F135 HydrophobicContact CE2-CE2 4.25Å; F18-F135 AromaticContact CE2-CZ 3.89Å; F18-F135 HydrophobicContact CE2-CZ 3.89Å; F18-F135 HydrophobicContact CZ-CZ 4.14Å; L32-F135 HydrophobicContact CD1-CE2 4.33Å; L32-F135 HydrophobicContact CD2-CE2 4.37Å; T36-F135 HydrophobicContact CG2-CB 4.41Å; T36-F135 HydrophobicContact CG2-CD1 3.54Å; T36-F135 HydrophobicContact CG2-CD2 3.86Å; T36-F135 HydrophobicContact CG2-CE1 3.64Å; T36-F135 HydrophobicContact CG2-CE2 3.99Å; T36-F135 HydrophobicContact CG2-CG 3.67Å; T36-F135 HydrophobicContact CG2-CZ 3.88Å; L126-F135 HydrophobicContact CD2-CE1 4.26Å; L126-F135 HydrophobicContact CD2-CZ 3.84Å; L130-F135 HydrophobicContact CB-CE1 3.85Å; L130-F135 HydrophobicContact CB-CZ 4.24Å; L130-F135 HydrophobicContact CD1-CD1 4.44Å; L130-F135 HydrophobicContact CD1-CE1 4.13Å; L130-F135 HydrophobicContact CD1-CE2 4.31Å; L130-F135 HydrophobicContact CD1-CZ 4.04Å; L130-F135 VanDerWaalsContact N-CE1 3.35Å; L133-F135 HydrophobicContact CB-CB 4.38Å; L133-F135 HydrophobicContact CB-CD1 4.46Å; L133-F135 PolarHBondContact O-N 3.49Å; F135-R137 VanDerWaalsContact C-N 3.27Å |
| 136 | D | 85.6 | Confident | 86.6 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.011 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -6.3 | 178.5 | 72.1 | -60.9 | 0 | 0 | 0 | 113.5 | F14 L130 Q134 G157 P158 R159 | F14-D136 HydrophobicContact CD2-CB 4.38Å; F14-D136 HydrophobicContact CG-CB 4.48Å; L130-D136 HydrophobicContact CD1-CB 3.7Å; L130-D136 VanDerWaalsContact CD1-OD1 3.25Å; L130-D136 WeakPolarHBondContact CD1-OD1 3.38Å; Q134-D136 PolarHBondContact O-N 2.78Å; D136-G157 WeakPolarHBondContact O-CA 3.42Å; D136-P158 VanDerWaalsContact O-CD 3.23Å; D136-P158 WeakPolarHBondContact O-CD 3.42Å; D136-R159 VanDerWaalsContact CG-NH2 3.28Å; D136-R159 IonicContact OD1-CZ 2.73Å; D136-R159 IonicContact OD1-NE 3.59Å; D136-R159 IonicContact OD1-NH2 2.67Å; D136-R159 PolarHBondContact OD1-NH2 2.78Å; D136-R159 IonicContact OD2-CZ 3.38Å; D136-R159 IonicContact OD2-NE 3.53Å; D136-R159 PolarHBondContact OD2-NE 2.94Å; D136-R159 IonicContact OD2-NH2 2.8Å; D136-R159 PolarHBondContact OD2-NH2 2.82Å |
| 137 | R | 88.5 | Confident | 84.9 | Confident | 53 Ų | 53 | 43.3 Ų | 43.3 | 20% | 0.2 | 23% | 0.232 | C | C | . | . | trans | -137.5 | 136.6 | -177.6 | 73 | -165.7 | -171.7 | 154.4 | 6.5 | 111.9 | Q134 F135 I155 I156 F160 | Q134-R137 PolarHBondContact O-N 2.78Å; F135-R137 VanDerWaalsContact C-N 3.27Å; R137-I155 HydrophobicContact CB-CG2 4.09Å; R137-I155 HydrophobicContact CG-CG2 4.22Å; R137-I156 CarbonylContact C-O 3.58Å; R137-I156 WeakPolarHBondContact CA-O 3.24Å; R137-F160 HydrophobicContact CB-CD2 4.4Å; R137-F160 VanDerWaalsContact CD-CE2 3.44Å; R137-F160 VanDerWaalsContact NH1-CE2 3.32Å | ||
| 138 | D | 90.6 | Very high | 83.1 | Confident | 34 Ų | 34 | 52.7 Ų | 52.7 | 18% | 0.182 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 155.7 | 166.7 | -66.5 | -76.6 | 0 | 0 | 0 | 109.9 | F140 I155 I156 L237 | D138-F140 HydrophobicContact CB-CD2 4.38Å; D138-F140 HydrophobicContact CB-CE2 3.44Å; D138-F140 VanDerWaalsContact CB-CE2 3.44Å; D138-F140 HydrophobicContact CB-CZ 3.68Å; D138-I155 WeakPolarHBondContact O-CA 3.39Å; D138-I156 PolarHBondContact N-O 3.29Å; D138-I156 PolarHBondContact O-N 3.49Å; D138-I156 VanDerWaalsContact O-N 3.1Å; D138-L237 HydrophobicContact CB-CD1 3.76Å; D138-L237 WeakPolarHBondContact OD2-CD1 3.33Å; D138-L237 WeakPolarHBondContact OD2-CD2 3.43Å |
| 139 | T | 91.2 | Very high | 81.6 | Confident | 72 Ų | 72 | 52.3 Ų | 52.3 | 44% | 0.442 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 117.9 | -179.1 | -60.5 | 0 | 0 | 0 | 0 | 110.6 | D153 L154 I155 | T139-D153 HydrophobicContact CG2-CB 3.87Å; T139-L154 CarbonylContact C-O 3.56Å; T139-L154 VanDerWaalsContact CA-O 3.27Å; T139-L154 WeakPolarHBondContact CA-O 3.32Å; T139-I155 HydrophobicContact CG2-CG1 4.1Å |
| 140 | F | 92.4 | Very high | 80.7 | Confident | 22 Ų | 22 | 57 Ų | 57 | 10% | 0.096 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 132.6 | -170.9 | -56.5 | -88.7 | 0 | 0 | 0 | 111.9 | D138 C142 D153 L154 I156 F225 E230 T233 V234 L237 | D138-F140 HydrophobicContact CB-CD2 4.38Å; D138-F140 HydrophobicContact CB-CE2 3.44Å; D138-F140 VanDerWaalsContact CB-CE2 3.44Å; D138-F140 HydrophobicContact CB-CZ 3.68Å; F140-C142 PolarHBondContact O-N 2.83Å; F140-D153 WeakPolarHBondContact O-CA 3.15Å; F140-L154 PolarHBondContact N-O 2.93Å; F140-L154 PolarHBondContact O-N 3.2Å; F140-I156 HydrophobicContact CE2-CD1 4.46Å; F140-F225 HydrophobicContact CB-CE1 3.92Å; F140-E230 HydrophobicContact CD1-CB 4.42Å; F140-T233 HydrophobicContact CE1-CG2 3.94Å; F140-T233 HydrophobicContact CZ-CG2 3.81Å; F140-V234 HydrophobicContact CB-CG2 4.39Å; F140-V234 HydrophobicContact CD1-CG2 3.97Å; F140-V234 HydrophobicContact CD2-CG2 3.45Å; F140-V234 VanDerWaalsContact CD2-CG2 3.45Å; F140-V234 HydrophobicContact CE1-CG2 4.07Å; F140-V234 HydrophobicContact CE2-CG2 3.55Å; F140-V234 HydrophobicContact CG-CG2 3.67Å; F140-V234 HydrophobicContact CZ-CG2 3.88Å; F140-L237 HydrophobicContact CE2-CD1 3.69Å; F140-L237 HydrophobicContact CZ-CD1 3.65Å |
| 141 | K | 90.5 | Very high | 80.2 | Confident | 139 Ų | 139 | 59 Ų | 59 | 60% | 0.604 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 113.7 | 174.3 | -83.7 | 179.7 | -172.7 | -53 | 0 | 109.8 | D153 | K141-D153 WeakPolarHBondContact CG-OD1 2.93Å; K141-D153 IonicContact NZ-OD1 2.7Å; K141-D153 PolarHBondContact NZ-OD1 3.46Å; K141-D153 IonicContact NZ-OD2 3.48Å; K141-D153 PolarHBondContact NZ-OD2 2.83Å |
| 142 | C | 89.9 | Confident | 80.1 | Confident | 10 Ų | 10 | 57.4 Ų | 57.4 | 7% | 0.068 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | -178.3 | -176.3 | 65.4 | 0 | 0 | 0 | 0 | 111.6 | F140 V152 L154 T224 F225 | F140-C142 PolarHBondContact O-N 2.83Å; C142-V152 PolarHBondContact N-O 3.38Å; C142-V152 PolarHBondContact O-N 2.9Å; C142-V152 VanDerWaalsContact O-O 3.11Å; C142-L154 VanDerWaalsContact SG-CB 3.58Å; C142-T224 WeakPolarHBondContact CB-O 3.32Å; C142-F225 HydrophobicContact CB-CD1 3.67Å; C142-F225 HydrophobicContact CB-CE1 3.51Å; C142-F225 HydrophobicContact CB-CG 4.29Å; C142-F225 HydrophobicContact CB-CZ 4Å |
| 143 | R | 84.6 | Confident | 80.3 | Confident | 113 Ų | 113 | 57.1 Ų | 57.1 | 43% | 0.426 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127.3 | 173.4 | -79.2 | -176.2 | 162.4 | 117.8 | 5 | 111.6 | G145 G149 I150 F223 T224 | R143-G145 PolarHBondContact O-N 3.36Å; R143-G149 WeakPolarHBondContact CD-O 3.3Å; R143-G149 VanDerWaalsContact CG-O 3.28Å; R143-G149 WeakPolarHBondContact CG-O 3.4Å; R143-G149 PolarHBondContact NE-O 3.24Å; R143-I150 CarbonylContact C-O 3.53Å; R143-I150 VanDerWaalsContact CA-O 3.3Å; R143-I150 WeakPolarHBondContact CA-O 3.36Å; R143-F223 CarbonylContact O-C 3.59Å; R143-F223 WeakPolarHBondContact O-CA 3.3Å; R143-T224 PolarHBondContact N-O 3.27Å; R143-T224 PolarHBondContact O-N 2.9Å |
| 144 | L | 84.4 | Confident | 80.6 | Confident | 48 Ų | 48 | 54.5 Ų | 54.5 | 25% | 0.251 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 118.8 | 172.3 | -175.3 | 71.9 | 0 | 0 | 0 | 109.7 | G149 I150 V152 I164 I221 F223 | L144-G149 CarbonylContact O-C 3.53Å; L144-G149 WeakPolarHBondContact O-CA 3.45Å; L144-I150 PolarHBondContact N-O 3.1Å; L144-I150 PolarHBondContact O-N 3.47Å; L144-V152 HydrophobicContact CB-CG1 4.12Å; L144-V152 HydrophobicContact CB-CG2 4.13Å; L144-I164 HydrophobicContact CD2-CD1 3.96Å; L144-I221 HydrophobicContact CD1-CG2 3.77Å; L144-F223 HydrophobicContact CD1-CD1 4.16Å; L144-F223 HydrophobicContact CD1-CE1 3.66Å; L144-F223 HydrophobicContact CD1-CZ 4.07Å |
| 145 | G | 70.7 | Confident | 80.8 | Confident | 24 Ų | 24 | 50.9 Ų | 50.9 | 25% | 0.247 | 26% | 0.264 | C | S | . | . | S | Bend | trans | 112.2 | -169.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | R143 Q198 S222 T224 | R143-G145 PolarHBondContact O-N 3.36Å; G145-Q198 PolarHBondContact O-NE2 3.34Å; G145-S222 PolarHBondContact N-O 3.34Å; G145-T224 PolarHBondContact O-OG1 2.83Å |
| 146 | A | 58.3 | Low | 81.1 | Confident | 75 Ų | 75 | 49.7 Ų | 49.7 | 62% | 0.62 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -108.5 | 132.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | W148 Q198 | A146-W148 PolarHBondContact O-N 3.19Å; A146-Q198 VanDerWaalsContact CB-NE2 3.33Å |
| 147 | G | 54.6 | Low | 81.1 | Confident | 24 Ų | 24 | 49.6 Ų | 49.6 | 25% | 0.247 | 26% | 0.258 | C | S | . | . | S | Bend | trans | 74.8 | -112.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G149 | G147-G149 PolarHBondContact O-N 2.96Š|
| 148 | W | 52.4 | Low | 80.8 | Confident | 219 Ų | 219 | 47.4 Ų | 47.4 | 83% | 0.83 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -76.9 | 47.7 | -178.2 | -67.1 | 98.6 | 0 | 0 | 0 | 113 | A146 | A146-W148 PolarHBondContact O-N 3.19Š|
| 149 | G | 62 | Low | 80.3 | Confident | 10 Ų | 10 | 47.6 Ų | 47.6 | 10% | 0.103 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -66.5 | 154 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | R143 L144 G147 | R143-G149 WeakPolarHBondContact CD-O 3.3Å; R143-G149 VanDerWaalsContact CG-O 3.28Å; R143-G149 WeakPolarHBondContact CG-O 3.4Å; R143-G149 PolarHBondContact NE-O 3.24Å; L144-G149 CarbonylContact O-C 3.53Å; L144-G149 WeakPolarHBondContact O-CA 3.45Å; G147-G149 PolarHBondContact O-N 2.96Å |
| 150 | I | 73 | Confident | 79.9 | Confident | 98 Ų | 98 | 44.8 Ų | 44.8 | 50% | 0.503 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 131.3 | -179.3 | -59.3 | 174.2 | 0 | 0 | 0 | 109.1 | R143 L144 V152 V166 | R143-I150 CarbonylContact C-O 3.53Å; R143-I150 VanDerWaalsContact CA-O 3.3Å; R143-I150 WeakPolarHBondContact CA-O 3.36Å; L144-I150 PolarHBondContact N-O 3.1Å; L144-I150 PolarHBondContact O-N 3.47Å; I150-V152 HydrophobicContact CG2-CG1 4.36Å; I150-V152 PolarHBondContact O-N 3.19Å; I150-V166 HydrophobicContact CG2-CG1 4.04Å |
| 151 | P | 79.9 | Confident | 79.6 | Confident | 47 Ų | 47 | 45.2 Ų | 45.2 | 31% | 0.305 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 126 | 175 | 27 | -33.6 | 0 | 0 | 0 | 111.1 | E167 | P151-E167 HydrophobicContact CG-CB 4.19Å; P151-E167 WeakPolarHBondContact CG-OE2 3.48Å; P151-E167 PolarHBondContact O-N 2.84Å |
| 152 | V | 85.9 | Confident | 79.6 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 3% | 0.03 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 149 | -179.5 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | C142 L144 I150 I164 V165 V166 | C142-V152 PolarHBondContact N-O 3.38Å; C142-V152 PolarHBondContact O-N 2.9Å; C142-V152 VanDerWaalsContact O-O 3.11Å; L144-V152 HydrophobicContact CB-CG1 4.12Å; L144-V152 HydrophobicContact CB-CG2 4.13Å; I150-V152 HydrophobicContact CG2-CG1 4.36Å; I150-V152 PolarHBondContact O-N 3.19Å; V152-I164 HydrophobicContact CB-CB 4.2Å; V152-I164 HydrophobicContact CB-CG2 4.14Å; V152-I164 HydrophobicContact CG1-CB 4.46Å; V152-I164 HydrophobicContact CG1-CD1 4.24Å; V152-I164 HydrophobicContact CG2-CG2 3.91Å; V152-V165 CarbonylContact C-O 3.59Å; V152-V165 WeakPolarHBondContact CA-O 3.45Å; V152-V166 HydrophobicContact CG1-CG2 4.28Å |
| 153 | D | 90.9 | Very high | 79.5 | Confident | 44 Ų | 44 | 38.3 Ų | 38.3 | 24% | 0.235 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 104 | 161.9 | -75.6 | -25.5 | 0 | 0 | 0 | 108.2 | T139 F140 K141 I164 V165 | T139-D153 HydrophobicContact CG2-CB 3.87Å; F140-D153 WeakPolarHBondContact O-CA 3.15Å; K141-D153 WeakPolarHBondContact CG-OD1 2.93Å; K141-D153 IonicContact NZ-OD1 2.7Å; K141-D153 PolarHBondContact NZ-OD1 3.46Å; K141-D153 IonicContact NZ-OD2 3.48Å; K141-D153 PolarHBondContact NZ-OD2 2.83Å; D153-I164 CarbonylContact O-C 3.59Å; D153-I164 WeakPolarHBondContact O-CA 3.41Å; D153-V165 HydrophobicContact CB-CB 4.29Å; D153-V165 PolarHBondContact N-O 3.05Å; D153-V165 PolarHBondContact O-N 2.86Å |
| 154 | L | 93 | Very high | 79.7 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 121 | 174.6 | 166.6 | 62.9 | 0 | 0 | 0 | 109.2 | T139 F140 C142 I156 I162 S163 I164 F223 F225 V234 | T139-L154 CarbonylContact C-O 3.56Å; T139-L154 VanDerWaalsContact CA-O 3.27Å; T139-L154 WeakPolarHBondContact CA-O 3.32Å; F140-L154 PolarHBondContact N-O 2.93Å; F140-L154 PolarHBondContact O-N 3.2Å; C142-L154 VanDerWaalsContact SG-CB 3.58Å; L154-I156 HydrophobicContact CD1-CG1 4.19Å; L154-I156 HydrophobicContact CD2-CD1 4.21Å; L154-I156 HydrophobicContact CG-CD1 4.29Å; L154-I156 HydrophobicContact CG-CG1 4.24Å; L154-I162 HydrophobicContact CD1-CG2 4.1Å; L154-S163 WeakPolarHBondContact CD1-O 3.45Å; L154-I164 HydrophobicContact CD1-CG2 4.45Å; L154-F223 HydrophobicContact CB-CE1 4.47Å; L154-F223 HydrophobicContact CD1-CD1 4.47Å; L154-F223 HydrophobicContact CD1-CE1 3.91Å; L154-F223 HydrophobicContact CD1-CE2 4.43Å; L154-F223 HydrophobicContact CD1-CZ 3.88Å; L154-F223 HydrophobicContact CD2-CD1 4.07Å; L154-F223 HydrophobicContact CD2-CD2 4.39Å; L154-F223 HydrophobicContact CD2-CE1 4.33Å; L154-F223 HydrophobicContact CD2-CG 4.09Å; L154-F223 HydrophobicContact CG-CE1 4.46Å; L154-F225 HydrophobicContact CD2-CE1 4.41Å; L154-F225 HydrophobicContact CD2-CZ 3.83Å; L154-V234 HydrophobicContact CD2-CG1 4.19Å; L154-V234 HydrophobicContact CD2-CG2 4.22Å |
| 155 | I | 92.9 | Very high | 79.7 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 127.1 | -179.7 | -57.7 | 178.2 | 0 | 0 | 0 | 109 | R137 D138 T139 F160 S163 V165 P172 | R137-I155 HydrophobicContact CB-CG2 4.09Å; R137-I155 HydrophobicContact CG-CG2 4.22Å; D138-I155 WeakPolarHBondContact O-CA 3.39Å; T139-I155 HydrophobicContact CG2-CG1 4.1Å; I155-F160 HydrophobicContact CG2-CB 3.86Å; I155-F160 HydrophobicContact CG2-CD2 4.23Å; I155-F160 HydrophobicContact CG2-CG 4Å; I155-S163 PolarHBondContact N-O 2.88Å; I155-S163 PolarHBondContact O-N 2.77Å; I155-V165 HydrophobicContact CD1-CG2 3.81Å; I155-P172 HydrophobicContact CD1-CB 4.2Å; I155-P172 HydrophobicContact CD1-CG 3.92Å |
| 156 | I | 91.4 | Very high | 80.1 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 125.7 | 177 | -64.7 | 173.7 | 0 | 0 | 0 | 108.9 | R137 D138 F140 L154 Q161 F178 V234 L237 L238 Y241 | R137-I156 CarbonylContact C-O 3.58Å; R137-I156 WeakPolarHBondContact CA-O 3.24Å; D138-I156 PolarHBondContact N-O 3.29Å; D138-I156 PolarHBondContact O-N 3.49Å; D138-I156 VanDerWaalsContact O-N 3.1Å; F140-I156 HydrophobicContact CE2-CD1 4.46Å; L154-I156 HydrophobicContact CD1-CG1 4.19Å; L154-I156 HydrophobicContact CD2-CD1 4.21Å; L154-I156 HydrophobicContact CG-CD1 4.29Å; L154-I156 HydrophobicContact CG-CG1 4.24Å; I156-Q161 WeakPolarHBondContact CA-O 3.46Å; I156-F178 HydrophobicContact CG2-CE1 4.02Å; I156-F178 HydrophobicContact CG2-CZ 3.97Å; I156-V234 HydrophobicContact CD1-CB 4.43Å; I156-V234 HydrophobicContact CD1-CG1 3.9Å; I156-V234 HydrophobicContact CD1-CG2 4.21Å; I156-L237 HydrophobicContact CG2-CB 4.02Å; I156-L237 HydrophobicContact CG2-CD1 4.35Å; I156-L238 HydrophobicContact CD1-CG 4.46Å; I156-Y241 HydrophobicContact CG2-CD2 3.98Å; I156-Y241 HydrophobicContact CG2-CE2 4.11Å |
| 157 | G | 86.5 | Confident | 80.5 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.3 | 161.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | D136 R159 F160 Q161 | D136-G157 WeakPolarHBondContact O-CA 3.42Å; G157-R159 VanDerWaalsContact C-N 3.31Å; G157-R159 PolarHBondContact O-N 3.1Å; G157-F160 CarbonylContact O-C 3.46Å; G157-F160 PolarHBondContact O-N 2.97Å; G157-Q161 PolarHBondContact N-O 2.8Å; G157-Q161 WeakPolarHBondContact O-CA 3.45Å; G157-Q161 PolarHBondContact O-N 2.88Å |
| 158 | P | 81.5 | Confident | 80.7 | Confident | 8 Ų | 8 | 43.4 Ų | 43.4 | 5% | 0.052 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -32.2 | -164.5 | 29.8 | -38.4 | 0 | 0 | 0 | 113.7 | F14 D136 Q161 | F14-P158 HydrophobicContact CB-CG 3.94Å; F14-P158 VanDerWaalsContact O-CB 3.26Å; F14-P158 WeakPolarHBondContact O-CB 3.43Å; F14-P158 WeakPolarHBondContact O-CG 3.26Å; D136-P158 VanDerWaalsContact O-CD 3.23Å; D136-P158 WeakPolarHBondContact O-CD 3.42Å; P158-Q161 PolarHBondContact O-NE2 3.26Å |
| 159 | R | 79.3 | Confident | 81.1 | Confident | 38 Ų | 38 | 34.9 Ų | 34.9 | 14% | 0.143 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -22.7 | 178.3 | -65.3 | -169 | -65.6 | 164.7 | -2 | 114.1 | D136 G157 T822 | D136-R159 VanDerWaalsContact CG-NH2 3.28Å; D136-R159 IonicContact OD1-CZ 2.73Å; D136-R159 IonicContact OD1-NE 3.59Å; D136-R159 IonicContact OD1-NH2 2.67Å; D136-R159 PolarHBondContact OD1-NH2 2.78Å; D136-R159 IonicContact OD2-CZ 3.38Å; D136-R159 IonicContact OD2-NE 3.53Å; D136-R159 PolarHBondContact OD2-NE 2.94Å; D136-R159 IonicContact OD2-NH2 2.8Å; D136-R159 PolarHBondContact OD2-NH2 2.82Å; G157-R159 VanDerWaalsContact C-N 3.31Å; G157-R159 PolarHBondContact O-N 3.1Å; R159-T822 PolarHBondContact NH1-OG1 3Å |
| 160 | F | 83.3 | Confident | 81.2 | Confident | 12 Ų | 12 | 46.4 Ų | 46.4 | 5% | 0.053 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113 | -12.7 | -176.7 | -63.9 | -81.1 | 0 | 0 | 0 | 112.9 | R137 I155 G157 I162 S163 P172 H174 | R137-F160 HydrophobicContact CB-CD2 4.4Å; R137-F160 VanDerWaalsContact CD-CE2 3.44Å; R137-F160 VanDerWaalsContact NH1-CE2 3.32Å; I155-F160 HydrophobicContact CG2-CB 3.86Å; I155-F160 HydrophobicContact CG2-CD2 4.23Å; I155-F160 HydrophobicContact CG2-CG 4Å; G157-F160 CarbonylContact O-C 3.46Å; G157-F160 PolarHBondContact O-N 2.97Å; F160-I162 PolarHBondContact O-N 2.86Å; F160-S163 PolarHBondContact O-OG 3.13Å; F160-P172 HydrophobicContact CD1-CB 4.18Å; F160-P172 HydrophobicContact CD1-CG 4.09Å; F160-P172 HydrophobicContact CE1-CB 4.5Å; F160-P172 HydrophobicContact CE1-CG 3.97Å; F160-H174 PolarHBondContact O-ND1 3.33Å |
| 161 | Q | 87.3 | Confident | 81.3 | Confident | 32 Ų | 32 | 46.9 Ų | 46.9 | 15% | 0.15 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 51.6 | -125.3 | -170.7 | -58.2 | -76.4 | -61.9 | 0 | 0 | 109.5 | I156 G157 P158 A176 Y177 F178 | I156-Q161 WeakPolarHBondContact CA-O 3.46Å; G157-Q161 PolarHBondContact N-O 2.8Å; G157-Q161 WeakPolarHBondContact O-CA 3.45Å; G157-Q161 PolarHBondContact O-N 2.88Å; P158-Q161 PolarHBondContact O-NE2 3.26Å; Q161-A176 VanDerWaalsContact CB-O 3.23Å; Q161-A176 WeakPolarHBondContact CB-O 3.47Å; Q161-Y177 HydrophobicContact CG-CD1 3.83Å; Q161-Y177 HydrophobicContact CG-CE1 4.4Å; Q161-F178 HydrophobicContact CB-CE2 4.43Å; Q161-F178 WeakPolarHBondContact O-CZ 3.25Å |
| 162 | I | 89.3 | Confident | 81.4 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 114.4 | 166 | -54 | 172.4 | 0 | 0 | 0 | 107.5 | L154 F160 L175 A176 F178 V181 I201 L238 | L154-I162 HydrophobicContact CD1-CG2 4.1Å; F160-I162 PolarHBondContact O-N 2.86Å; I162-L175 HydrophobicContact CG2-CB 4.42Å; I162-L175 PolarHBondContact O-N 3.43Å; I162-A176 HydrophobicContact CB-CB 4.35Å; I162-A176 WeakPolarHBondContact CB-O 3.41Å; I162-A176 HydrophobicContact CD1-CB 4.26Å; I162-A176 PolarHBondContact N-O 2.9Å; I162-A176 PolarHBondContact O-N 3.46Å; I162-F178 HydrophobicContact CD1-CD1 4.24Å; I162-F178 HydrophobicContact CD1-CE1 4.49Å; I162-F178 HydrophobicContact CG1-CD1 3.85Å; I162-F178 HydrophobicContact CG1-CE1 3.7Å; I162-V181 HydrophobicContact CD1-CG2 3.66Å; I162-I201 HydrophobicContact CD1-CD1 4.09Å; I162-I201 HydrophobicContact CD1-CG2 4.4Å; I162-I201 HydrophobicContact CG2-CD1 4.45Å; I162-L238 HydrophobicContact CD1-CD2 3.64Å; I162-L238 HydrophobicContact CG1-CD2 4.03Å |
| 163 | S | 88.5 | Confident | 81.1 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 3% | 0.028 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 161 | -179.3 | -76.6 | 0 | 0 | 0 | 0 | 111.8 | L154 I155 F160 R173 H174 | L154-S163 WeakPolarHBondContact CD1-O 3.45Å; I155-S163 PolarHBondContact N-O 2.88Å; I155-S163 PolarHBondContact O-N 2.77Å; F160-S163 PolarHBondContact O-OG 3.13Å; S163-R173 CarbonylContact C-O 3.34Å; S163-R173 VanDerWaalsContact CA-O 3.32Å; S163-R173 WeakPolarHBondContact CA-O 3.44Å; S163-H174 WeakPolarHBondContact OG-CA 3.37Å |
| 164 | I | 88 | Confident | 80.8 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 149.9 | 169.8 | 52.5 | 171 | 0 | 0 | 0 | 112 | L144 V152 D153 L154 V166 P172 R173 L175 F223 | L144-I164 HydrophobicContact CD2-CD1 3.96Å; V152-I164 HydrophobicContact CB-CB 4.2Å; V152-I164 HydrophobicContact CB-CG2 4.14Å; V152-I164 HydrophobicContact CG1-CB 4.46Å; V152-I164 HydrophobicContact CG1-CD1 4.24Å; V152-I164 HydrophobicContact CG2-CG2 3.91Å; D153-I164 CarbonylContact O-C 3.59Å; D153-I164 WeakPolarHBondContact O-CA 3.41Å; L154-I164 HydrophobicContact CD1-CG2 4.45Å; I164-V166 HydrophobicContact CD1-CG2 4.35Å; I164-P172 CarbonylContact O-C 3.56Å; I164-P172 WeakPolarHBondContact O-CA 3.32Å; I164-R173 HydrophobicContact CG1-CB 4.3Å; I164-R173 PolarHBondContact N-O 2.9Å; I164-R173 PolarHBondContact O-N 2.8Å; I164-L175 HydrophobicContact CB-CD1 4.33Å; I164-L175 HydrophobicContact CD1-CD1 4.11Å; I164-L175 HydrophobicContact CD1-CD2 4.04Å; I164-L175 HydrophobicContact CD1-CG 4.39Å; I164-L175 HydrophobicContact CG1-CD1 3.92Å; I164-L175 HydrophobicContact CG1-CD2 4.09Å; I164-L175 HydrophobicContact CG1-CG 4.02Å; I164-L175 HydrophobicContact CG2-CD1 3.66Å; I164-F223 HydrophobicContact CG2-CE1 3.83Å; I164-F223 HydrophobicContact CG2-CZ 4.42Å |
| 165 | V | 84.5 | Confident | 80.3 | Confident | 28 Ų | 28 | 57 Ų | 57 | 17% | 0.17 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 119.8 | 156.9 | 176.7 | 0 | 0 | 0 | 0 | 107.4 | V152 D153 I155 G169 P172 | V152-V165 CarbonylContact C-O 3.59Å; V152-V165 WeakPolarHBondContact CA-O 3.45Å; D153-V165 HydrophobicContact CB-CB 4.29Å; D153-V165 PolarHBondContact N-O 3.05Å; D153-V165 PolarHBondContact O-N 2.86Å; I155-V165 HydrophobicContact CD1-CG2 3.81Å; V165-G169 WeakPolarHBondContact CG1-O 3.44Å; V165-P172 HydrophobicContact CG2-CB 4.12Å; V165-P172 HydrophobicContact CG2-CG 3.94Å |
| 166 | V | 79.8 | Confident | 79.7 | Confident | 65 Ų | 65 | 57 Ų | 57 | 39% | 0.394 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 147.1 | 172.2 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | I150 V152 I164 N168 G169 | I150-V166 HydrophobicContact CG2-CG1 4.04Å; V152-V166 HydrophobicContact CG1-CG2 4.28Å; I164-V166 HydrophobicContact CD1-CG2 4.35Å; V166-N168 PolarHBondContact O-N 3.36Å; V166-G169 WeakPolarHBondContact O-CA 3.25Å; V166-G169 PolarHBondContact O-N 3.19Å |
| 167 | E | 65.8 | Low | 79.2 | Confident | 128 Ų | 128 | 63.1 Ų | 63.1 | 60% | 0.598 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 128.4 | 176.7 | -166.5 | 162.3 | -132.8 | 0 | 0 | 111.7 | P151 G169 | P151-E167 HydrophobicContact CG-CB 4.19Å; P151-E167 WeakPolarHBondContact CG-OE2 3.48Å; P151-E167 PolarHBondContact O-N 2.84Å; E167-G169 VanDerWaalsContact C-N 3.29Å; E167-G169 PolarHBondContact O-N 3.38Å |
| 168 | N | 59.7 | Low | 79 | Confident | 164 Ų | 164 | 63.6 Ų | 63.6 | 88% | 0.877 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | -3 | -168.6 | -47.9 | -75.5 | 0 | 0 | 0 | 117.3 | V166 | V166-N168 PolarHBondContact O-N 3.36Š|
| 169 | G | 60 | Low | 78.8 | Confident | 39 Ų | 39 | 66.8 Ų | 66.8 | 40% | 0.402 | 33% | 0.328 | S | S | . | . | trans | -69.5 | 140.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V165 V166 E167 | V165-G169 WeakPolarHBondContact CG1-O 3.44Å; V166-G169 WeakPolarHBondContact O-CA 3.25Å; V166-G169 PolarHBondContact O-N 3.19Å; E167-G169 VanDerWaalsContact C-N 3.29Å; E167-G169 PolarHBondContact O-N 3.38Å | ||
| 170 | R | 65.1 | Low | 78.6 | Confident | 252 Ų | 252 | 66.8 Ų | 66.8 | 95% | 0.951 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -94.3 | -12.7 | -178.2 | -72.4 | -171.4 | 178.8 | -176.5 | 1.4 | 115.7 | ||
| 171 | Q | 75.9 | Confident | 78.3 | Confident | 108 Ų | 108 | 66.2 Ų | 66.2 | 51% | 0.505 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -139.1 | 147.1 | -178.9 | -64.8 | -170.1 | 18.2 | 0 | 0 | 111 | R173 P824 | Q171-R173 PolarHBondContact O-N 3.17Å; Q171-P824 VanDerWaalsContact OE1-CB 3.24Å |
| 172 | P | 80.9 | Confident | 77.8 | Confident | 34 Ų | 34 | 67.8 Ų | 67.8 | 22% | 0.221 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -64 | 130.9 | 171.6 | -21.6 | 34.3 | 0 | 0 | 0 | 112.1 | I155 F160 I164 V165 | I155-P172 HydrophobicContact CD1-CB 4.2Å; I155-P172 HydrophobicContact CD1-CG 3.92Å; F160-P172 HydrophobicContact CD1-CB 4.18Å; F160-P172 HydrophobicContact CD1-CG 4.09Å; F160-P172 HydrophobicContact CE1-CB 4.5Å; F160-P172 HydrophobicContact CE1-CG 3.97Å; I164-P172 CarbonylContact O-C 3.56Å; I164-P172 WeakPolarHBondContact O-CA 3.32Å; V165-P172 HydrophobicContact CG2-CB 4.12Å; V165-P172 HydrophobicContact CG2-CG 3.94Å |
| 173 | R | 79 | Confident | 77.2 | Confident | 159 Ų | 159 | 70.5 Ų | 70.5 | 60% | 0.6 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 118.1 | 165.7 | 178.4 | 175.4 | -178.4 | 161.5 | 2.9 | 108.3 | S163 I164 Q171 | S163-R173 CarbonylContact C-O 3.34Å; S163-R173 VanDerWaalsContact CA-O 3.32Å; S163-R173 WeakPolarHBondContact CA-O 3.44Å; I164-R173 HydrophobicContact CG1-CB 4.3Å; I164-R173 PolarHBondContact N-O 2.9Å; I164-R173 PolarHBondContact O-N 2.8Å; Q171-R173 PolarHBondContact O-N 3.17Å |
| 174 | H | 84.9 | Confident | 76.9 | Confident | 69 Ų | 69 | 71.1 Ų | 71.1 | 32% | 0.319 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 142.6 | 170.9 | 179.5 | 79.6 | 0 | 0 | 0 | 110.6 | F160 S163 A176 Y177 | F160-H174 PolarHBondContact O-ND1 3.33Å; S163-H174 WeakPolarHBondContact OG-CA 3.37Å; H174-A176 PolarHBondContact CE1-O 3.01Å; H174-Y177 AromaticContact NE2-CD2 3.59Å; H174-Y177 AromaticContact NE2-CE2 3.46Å; H174-Y177 WeakPolarHBondContact NE2-CE2 3.41Å; H174-Y177 AromaticContact NE2-CZ 3.78Å |
| 175 | L | 82.1 | Confident | 76.5 | Confident | 46 Ų | 46 | 72.3 Ų | 72.3 | 24% | 0.241 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | -45.4 | 176.3 | -64.7 | 179.7 | 0 | 0 | 0 | 112 | I162 I164 I221 F223 | I162-L175 HydrophobicContact CG2-CB 4.42Å; I162-L175 PolarHBondContact O-N 3.43Å; I164-L175 HydrophobicContact CB-CD1 4.33Å; I164-L175 HydrophobicContact CD1-CD1 4.11Å; I164-L175 HydrophobicContact CD1-CD2 4.04Å; I164-L175 HydrophobicContact CD1-CG 4.39Å; I164-L175 HydrophobicContact CG1-CD1 3.92Å; I164-L175 HydrophobicContact CG1-CD2 4.09Å; I164-L175 HydrophobicContact CG1-CG 4.02Å; I164-L175 HydrophobicContact CG2-CD1 3.66Å; L175-I221 HydrophobicContact CB-CD1 4.17Å; L175-F223 HydrophobicContact CD1-CE1 4.25Å; L175-F223 HydrophobicContact CD1-CZ 3.7Å |
| 176 | A | 81.2 | Confident | 76.3 | Confident | 4 Ų | 4 | 71.6 Ų | 71.6 | 3% | 0.033 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 153 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q161 I162 H174 M203 | Q161-A176 VanDerWaalsContact CB-O 3.23Å; Q161-A176 WeakPolarHBondContact CB-O 3.47Å; I162-A176 HydrophobicContact CB-CB 4.35Å; I162-A176 WeakPolarHBondContact CB-O 3.41Å; I162-A176 HydrophobicContact CD1-CB 4.26Å; I162-A176 PolarHBondContact N-O 2.9Å; I162-A176 PolarHBondContact O-N 3.46Å; H174-A176 PolarHBondContact CE1-O 3.01Å; A176-M203 HydrophobicContact CB-CE 3.31Å; A176-M203 HydrophobicContact CB-SD 3.59Å; A176-M203 VanDerWaalsContact CB-SD 3.59Å |
| 177 | Y | 81.3 | Confident | 76.4 | Confident | 130 Ų | 130 | 70 Ų | 70 | 51% | 0.51 | 34% | 0.344 | S | S | . | . | trans | -82.6 | 146.5 | 167.1 | -62.7 | -86.3 | 0 | 0 | 0 | 110.2 | Q161 H174 A179 S180 | Q161-Y177 HydrophobicContact CG-CD1 3.83Å; Q161-Y177 HydrophobicContact CG-CE1 4.4Å; H174-Y177 AromaticContact NE2-CD2 3.59Å; H174-Y177 AromaticContact NE2-CE2 3.46Å; H174-Y177 WeakPolarHBondContact NE2-CE2 3.41Å; H174-Y177 AromaticContact NE2-CZ 3.78Å; Y177-A179 VanDerWaalsContact C-N 3.25Å; Y177-A179 PolarHBondContact O-N 3.06Å; Y177-S180 WeakPolarHBondContact O-CB 3.45Å; Y177-S180 PolarHBondContact O-N 3.46Å; Y177-S180 PolarHBondContact O-OG 2.86Å | ||
| 178 | F | 82.2 | Confident | 77.2 | Confident | 9 Ų | 9 | 69.1 Ų | 69.1 | 4% | 0.039 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -57.5 | -39.3 | 178.9 | -62.2 | -53.4 | 0 | 0 | 0 | 112.4 | I156 Q161 I162 S180 V181 L238 Y241 C242 | I156-F178 HydrophobicContact CG2-CE1 4.02Å; I156-F178 HydrophobicContact CG2-CZ 3.97Å; Q161-F178 HydrophobicContact CB-CE2 4.43Å; Q161-F178 WeakPolarHBondContact O-CZ 3.25Å; I162-F178 HydrophobicContact CD1-CD1 4.24Å; I162-F178 HydrophobicContact CD1-CE1 4.49Å; I162-F178 HydrophobicContact CG1-CD1 3.85Å; I162-F178 HydrophobicContact CG1-CE1 3.7Å; F178-S180 PolarHBondContact O-N 3.09Å; F178-V181 WeakPolarHBondContact O-CB 3.38Å; F178-V181 PolarHBondContact O-N 3.13Å; F178-L238 HydrophobicContact CD1-CD2 4.44Å; F178-L238 HydrophobicContact CE1-CD2 4.39Å; F178-Y241 WeakPolarHBondContact CB-O 3.22Å; F178-Y241 HydrophobicContact CD2-CD1 4.2Å; F178-Y241 HydrophobicContact CD2-CG 4.07Å; F178-Y241 HydrophobicContact CE1-CD2 4.3Å; F178-Y241 HydrophobicContact CE1-CG 4.21Å; F178-Y241 AromaticContact CE2-CD1 3.78Å; F178-Y241 HydrophobicContact CE2-CD1 3.78Å; F178-Y241 HydrophobicContact CE2-CD2 4.21Å; F178-Y241 HydrophobicContact CE2-CE1 4.46Å; F178-Y241 AromaticContact CE2-CG 3.66Å; F178-Y241 HydrophobicContact CE2-CG 3.66Å; F178-Y241 HydrophobicContact CZ-CD1 4.27Å; F178-Y241 AromaticContact CZ-CD2 3.85Å; F178-Y241 HydrophobicContact CZ-CD2 3.85Å; F178-Y241 AromaticContact CZ-CG 3.74Å; F178-Y241 HydrophobicContact CZ-CG 3.74Å; F178-C242 HydrophobicContact CB-CB 4.45Å; F178-C242 PolarHBondContact O-SG 2.8Å |
| 179 | A | 76.3 | Confident | 78.3 | Confident | 76 Ų | 76 | 63.2 Ų | 63.2 | 63% | 0.628 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -65.1 | -3 | 176 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y177 | Y177-A179 VanDerWaalsContact C-N 3.25Å; Y177-A179 PolarHBondContact O-N 3.06Å |
| 180 | S | 76 | Confident | 79.3 | Confident | 37 Ų | 37 | 66.9 Ų | 66.9 | 26% | 0.259 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -99.5 | -7.2 | 173.7 | 68.2 | 0 | 0 | 0 | 0 | 113.7 | Y177 F178 R182 M203 E204 | Y177-S180 WeakPolarHBondContact O-CB 3.45Å; Y177-S180 PolarHBondContact O-N 3.46Å; Y177-S180 PolarHBondContact O-OG 2.86Å; F178-S180 PolarHBondContact O-N 3.09Å; S180-R182 PolarHBondContact O-N 2.8Å; S180-M203 WeakPolarHBondContact O-CA 3.5Å; S180-E204 PolarHBondContact O-N 2.92Å |
| 181 | V | 76.7 | Confident | 79.7 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 113.1 | -179.9 | -179.5 | 0 | 0 | 0 | 0 | 109.4 | I162 F178 V184 I201 C242 | I162-V181 HydrophobicContact CD1-CG2 3.66Å; F178-V181 WeakPolarHBondContact O-CB 3.38Å; F178-V181 PolarHBondContact O-N 3.13Å; V181-V184 HydrophobicContact CG1-CG2 3.83Å; V181-I201 HydrophobicContact CB-CG2 4.23Å; V181-I201 HydrophobicContact CG1-CG2 3.65Å; V181-I201 HydrophobicContact CG2-CG2 3.6Å; V181-C242 HydrophobicContact CB-CB 4.35Å |
| 182 | R | 76.1 | Confident | 79.6 | Confident | 66 Ų | 66 | 57.1 Ų | 57.1 | 25% | 0.249 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | -21.3 | 175.8 | -59.7 | -58.3 | -163 | 155.1 | 9.1 | 112.8 | S180 G202 E204 Y218 S245 | S180-R182 PolarHBondContact O-N 2.8Å; R182-G202 PolarHBondContact N-O 3.33Å; R182-E204 HydrophobicContact CG-CB 3.8Å; R182-E204 IonicContact CZ-OE2 2.71Å; R182-E204 IonicContact NE-OE2 3.37Å; R182-E204 PolarHBondContact NE-OE2 3.17Å; R182-E204 IonicContact NH2-OE1 2.71Å; R182-E204 IonicContact NH2-OE2 3.76Å; R182-E204 PolarHBondContact NH2-OE2 3.42Å; R182-Y218 HydrophobicContact CB-CD1 4.14Å; R182-Y218 HydrophobicContact CB-CE1 3.67Å; R182-Y218 HydrophobicContact CG-CE1 4.21Å; R182-S245 WeakPolarHBondContact CD-O 3.34Å; R182-S245 PolarHBondContact NH1-O 2.99Å |
| 183 | Q | 78.3 | Confident | 79.3 | Confident | 57 Ų | 57 | 59 Ų | 59 | 27% | 0.266 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 145.4 | 179.3 | -163.6 | 172.2 | 30.8 | 0 | 0 | 111.9 | I185 G202 | Q183-I185 HydrophobicContact CG-CD1 4.41Å; Q183-I185 HydrophobicContact CG-CG1 3.94Å; Q183-G202 PolarHBondContact N-O 2.99Å; Q183-G202 PolarHBondContact O-N 3.27Å |
| 184 | V | 82.2 | Confident | 79.4 | Confident | 17 Ų | 17 | 58.8 Ų | 58.8 | 10% | 0.103 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 128.9 | 165.4 | -176.1 | 0 | 0 | 0 | 0 | 108 | V181 V199 R200 V235 L238 | V181-V184 HydrophobicContact CG1-CG2 3.83Å; V184-V199 HydrophobicContact CG1-CG1 3.65Å; V184-R200 WeakPolarHBondContact CA-O 3.26Å; V184-V235 HydrophobicContact CG1-CG2 4.07Å; V184-L238 HydrophobicContact CG1-CD1 4.37Å; V184-L238 HydrophobicContact CG2-CB 4.32Å; V184-L238 HydrophobicContact CG2-CD1 4.2Å |
| 185 | I | 78.8 | Confident | 79.3 | Confident | 30 Ų | 30 | 60 Ų | 60 | 15% | 0.154 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 128.5 | 179.3 | -49.9 | 178.6 | 0 | 0 | 0 | 108.8 | Q183 T187 V199 R200 F220 | Q183-I185 HydrophobicContact CG-CD1 4.41Å; Q183-I185 HydrophobicContact CG-CG1 3.94Å; I185-T187 HydrophobicContact CG2-CG2 4.18Å; I185-V199 CarbonylContact O-C 3.53Å; I185-V199 WeakPolarHBondContact O-CA 3.09Å; I185-R200 HydrophobicContact CB-CB 4.36Å; I185-R200 PolarHBondContact N-O 3.42Å; I185-R200 PolarHBondContact O-N 3.4Å; I185-F220 HydrophobicContact CD1-CE1 3.61Å; I185-F220 HydrophobicContact CD1-CZ 3.78Å; I185-F220 HydrophobicContact CG1-CE1 4.09Å |
| 186 | V | 80.4 | Confident | 79.5 | Confident | 14 Ų | 14 | 58.4 Ų | 58.4 | 9% | 0.085 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 126.7 | 172 | -168.4 | 0 | 0 | 0 | 0 | 109.3 | Q198 V235 | V186-Q198 WeakPolarHBondContact CA-O 3.41Å; V186-V235 HydrophobicContact CG2-CG2 3.45Å; V186-V235 VanDerWaalsContact CG2-CG2 3.45Å |
| 187 | T | 82.2 | Confident | 79.8 | Confident | 30 Ų | 30 | 60.1 Ų | 60.1 | 18% | 0.184 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 133.6 | 174.8 | 49.9 | 0 | 0 | 0 | 0 | 110.5 | I185 Q198 | I185-T187 HydrophobicContact CG2-CG2 4.18Å; T187-Q198 PolarHBondContact N-O 2.67Å; T187-Q198 PolarHBondContact O-N 3.33Å; T187-Q198 PolarHBondContact OG1-O 3.29Å |
| 188 | K | 82.7 | Confident | 80 | Confident | 110 Ų | 110 | 54.8 Ų | 54.8 | 48% | 0.478 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 126.1 | 171.3 | -170.6 | 177.3 | -175.9 | -177.5 | 0 | 108.5 | E195 Y197 | K188-E195 WeakPolarHBondContact CE-OE1 3.32Å; K188-E195 VanDerWaalsContact CE-OE2 3.23Å; K188-E195 WeakPolarHBondContact CE-OE2 3.27Å; K188-E195 IonicContact NZ-OE1 2.66Å; K188-E195 PolarHBondContact NZ-OE1 2.83Å; K188-E195 IonicContact NZ-OE2 2.96Å; K188-E195 PolarHBondContact NZ-OE2 3.39Å; K188-Y197 HydrophobicContact CB-CD1 4.44Å; K188-Y197 HydrophobicContact CB-CE1 4.3Å; K188-Y197 HydrophobicContact CD-CE1 3.92Å; K188-Y197 VanDerWaalsContact CE-OH 3.3Å; K188-Y197 WeakPolarHBondContact CE-OH 3.48Å; K188-Y197 HydrophobicContact CG-CD1 4.28Å; K188-Y197 HydrophobicContact CG-CE1 3.81Å |
| 189 | V | 81.8 | Confident | 80.2 | Confident | 40 Ų | 40 | 54.4 Ų | 54.4 | 24% | 0.242 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 155.3 | -174 | -64.2 | 0 | 0 | 0 | 0 | 111.1 | I191 C196 Q198 | V189-I191 HydrophobicContact CG2-CD1 3.89Å; V189-I191 HydrophobicContact CG2-CG1 4.19Å; V189-C196 HydrophobicContact CG2-CB 4.05Å; V189-C196 WeakPolarHBondContact CG2-O 3.44Å; V189-C196 PolarHBondContact N-O 3.1Å; V189-C196 PolarHBondContact O-N 3.4Å; V189-C196 VanDerWaalsContact O-O 3.13Å; V189-Q198 HydrophobicContact CG2-CB 4.27Å |
| 190 | Q | 81.5 | Confident | 80.6 | Confident | 116 Ų | 116 | 54.7 Ų | 54.7 | 54% | 0.542 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 120.7 | 173.8 | -70.8 | -68.2 | -15.9 | 0 | 0 | 109.2 | K194 E195 | Q190-K194 VanDerWaalsContact OE1-C 3.24Å; Q190-K194 PolarHBondContact OE1-O 3.27Å; Q190-E195 PolarHBondContact NE2-OE1 2.83Å; Q190-E195 VanDerWaalsContact NE2-OE1 3.1Å |
| 191 | I | 74 | Confident | 81.1 | Confident | 29 Ų | 29 | 52.9 Ų | 52.9 | 15% | 0.149 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 119.8 | 179.5 | -62.2 | 170.1 | 0 | 0 | 0 | 107.6 | V189 G193 K194 C196 T224 | V189-I191 HydrophobicContact CG2-CD1 3.89Å; V189-I191 HydrophobicContact CG2-CG1 4.19Å; I191-G193 PolarHBondContact O-N 2.83Å; I191-K194 PolarHBondContact N-O 3.41Å; I191-K194 PolarHBondContact O-N 3.01Å; I191-C196 HydrophobicContact CD1-CB 4.07Å; I191-T224 HydrophobicContact CD1-CG2 3.6Å |
| 192 | Q | 72.6 | Confident | 81.3 | Confident | 126 Ų | 126 | 52.9 Ų | 52.9 | 59% | 0.589 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 33.6 | -177.8 | -57.3 | 170 | 6.6 | 0 | 0 | 113.7 | K194 | Q192-K194 VanDerWaalsContact C-N 3.25Å; Q192-K194 PolarHBondContact O-N 2.82Å |
| 193 | G | 76.1 | Confident | 81.4 | Confident | 74 Ų | 74 | 50.9 Ų | 50.9 | 76% | 0.763 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 12.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | I191 | I191-G193 PolarHBondContact O-N 2.83Š|
| 194 | K | 79.5 | Confident | 80.7 | Confident | 154 Ų | 154 | 51.7 Ų | 51.7 | 67% | 0.67 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 142.6 | 170.8 | -64.8 | -175.3 | 179.5 | -178.9 | 0 | 110.4 | Q190 I191 Q192 | Q190-K194 VanDerWaalsContact OE1-C 3.24Å; Q190-K194 PolarHBondContact OE1-O 3.27Å; I191-K194 PolarHBondContact N-O 3.41Å; I191-K194 PolarHBondContact O-N 3.01Å; Q192-K194 VanDerWaalsContact C-N 3.25Å; Q192-K194 PolarHBondContact O-N 2.82Å |
| 195 | E | 83.6 | Confident | 79.3 | Confident | 95 Ų | 95 | 54.2 Ų | 54.2 | 44% | 0.444 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 132.9 | 171.8 | -43 | -144.7 | 99.9 | 0 | 0 | 109.3 | K188 Q190 | K188-E195 WeakPolarHBondContact CE-OE1 3.32Å; K188-E195 VanDerWaalsContact CE-OE2 3.23Å; K188-E195 WeakPolarHBondContact CE-OE2 3.27Å; K188-E195 IonicContact NZ-OE1 2.66Å; K188-E195 PolarHBondContact NZ-OE1 2.83Å; K188-E195 IonicContact NZ-OE2 2.96Å; K188-E195 PolarHBondContact NZ-OE2 3.39Å; Q190-E195 PolarHBondContact NE2-OE1 2.83Å; Q190-E195 VanDerWaalsContact NE2-OE1 3.1Å |
| 196 | C | 86.3 | Confident | 77.5 | Confident | 13 Ų | 13 | 56 Ų | 56 | 9% | 0.088 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 160.1 | 174.6 | -69 | 0 | 0 | 0 | 0 | 109.7 | V189 I191 T224 F225 | V189-C196 HydrophobicContact CG2-CB 4.05Å; V189-C196 WeakPolarHBondContact CG2-O 3.44Å; V189-C196 PolarHBondContact N-O 3.1Å; V189-C196 PolarHBondContact O-N 3.4Å; V189-C196 VanDerWaalsContact O-O 3.13Å; I191-C196 HydrophobicContact CD1-CB 4.07Å; C196-T224 HydrophobicContact CB-CG2 3.87Å; C196-F225 WeakPolarHBondContact CA-O 3.39Å; C196-F225 WeakPolarHBondContact CB-O 3.29Å |
| 197 | Y | 87.4 | Confident | 75.5 | Confident | 40 Ų | 40 | 61.4 Ų | 61.4 | 16% | 0.157 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 115.9 | -174.2 | -61.9 | -91.4 | 0 | 0 | 0 | 108.3 | K188 F225 T227 P228 | K188-Y197 HydrophobicContact CB-CD1 4.44Å; K188-Y197 HydrophobicContact CB-CE1 4.3Å; K188-Y197 HydrophobicContact CD-CE1 3.92Å; K188-Y197 VanDerWaalsContact CE-OH 3.3Å; K188-Y197 WeakPolarHBondContact CE-OH 3.48Å; K188-Y197 HydrophobicContact CG-CD1 4.28Å; K188-Y197 HydrophobicContact CG-CE1 3.81Å; Y197-F225 PolarHBondContact N-O 3.15Å; Y197-F225 PolarHBondContact O-N 3.12Å; Y197-T227 VanDerWaalsContact CD2-C 3.49Å; Y197-P228 HydrophobicContact CD1-CB 4.09Å; Y197-P228 HydrophobicContact CD2-CB 4.2Å; Y197-P228 HydrophobicContact CE1-CB 3.83Å; Y197-P228 HydrophobicContact CE2-CB 3.97Å; Y197-P228 VanDerWaalsContact CE2-CD 3.49Å; Y197-P228 HydrophobicContact CE2-CG 4.09Å; Y197-P228 HydrophobicContact CG-CB 4.27Å |
| 198 | Q | 84.7 | Confident | 73.2 | Confident | 18 Ų | 18 | 64.3 Ų | 64.3 | 8% | 0.084 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 116 | -178.5 | -178.1 | 177.5 | 77.6 | 0 | 0 | 110.3 | G145 A146 V186 T187 V189 R200 F223 | G145-Q198 PolarHBondContact O-NE2 3.34Å; A146-Q198 VanDerWaalsContact CB-NE2 3.33Å; V186-Q198 WeakPolarHBondContact CA-O 3.41Å; T187-Q198 PolarHBondContact N-O 2.67Å; T187-Q198 PolarHBondContact O-N 3.33Å; T187-Q198 PolarHBondContact OG1-O 3.29Å; V189-Q198 HydrophobicContact CG2-CB 4.27Å; Q198-R200 HydrophobicContact CG-CG 3.9Å; Q198-F223 CarbonylContact C-O 3.56Å; Q198-F223 VanDerWaalsContact CA-O 3.29Å; Q198-F223 WeakPolarHBondContact CA-O 3.32Å |
| 199 | V | 86.5 | Confident | 70.6 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 119.4 | 170.5 | -175.3 | 0 | 0 | 0 | 0 | 108.2 | V184 I185 F223 F225 A231 V234 V235 | V184-V199 HydrophobicContact CG1-CG1 3.65Å; I185-V199 CarbonylContact O-C 3.53Å; I185-V199 WeakPolarHBondContact O-CA 3.09Å; V199-F223 PolarHBondContact N-O 3.06Å; V199-F223 PolarHBondContact O-N 3.34Å; V199-F225 HydrophobicContact CB-CE2 3.97Å; V199-F225 HydrophobicContact CG2-CD2 3.94Å; V199-F225 HydrophobicContact CG2-CE2 3.64Å; V199-A231 HydrophobicContact CG2-CB 3.85Å; V199-V234 HydrophobicContact CG1-CG1 4.43Å; V199-V235 HydrophobicContact CG1-CG2 3.99Å; V199-V235 HydrophobicContact CG2-CG2 4.11Å |
| 200 | R | 85.6 | Confident | 68.2 | Low | 82 Ų | 82 | 64.8 Ų | 64.8 | 31% | 0.309 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 114.3 | 178.9 | -57.3 | -179 | 53.5 | -166.4 | -10.4 | 109.1 | V184 I185 Q198 F220 I221 | V184-R200 WeakPolarHBondContact CA-O 3.26Å; I185-R200 HydrophobicContact CB-CB 4.36Å; I185-R200 PolarHBondContact N-O 3.42Å; I185-R200 PolarHBondContact O-N 3.4Å; Q198-R200 HydrophobicContact CG-CG 3.9Å; R200-F220 HydrophobicContact CB-CD1 3.8Å; R200-F220 HydrophobicContact CB-CE1 4.5Å; R200-F220 VanDerWaalsContact NH2-CD2 3.35Å; R200-I221 CarbonylContact C-O 3.6Å; R200-I221 WeakPolarHBondContact CA-O 3.45Å |
| 201 | I | 86.8 | Confident | 66 | Low | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 106.2 | 179 | -49.9 | -175.3 | 0 | 0 | 0 | 107.7 | I162 V181 M203 F220 I221 F223 L238 | I162-I201 HydrophobicContact CD1-CD1 4.09Å; I162-I201 HydrophobicContact CD1-CG2 4.4Å; I162-I201 HydrophobicContact CG2-CD1 4.45Å; V181-I201 HydrophobicContact CB-CG2 4.23Å; V181-I201 HydrophobicContact CG1-CG2 3.65Å; V181-I201 HydrophobicContact CG2-CG2 3.6Å; I201-M203 HydrophobicContact CB-CE 4.12Å; I201-M203 HydrophobicContact CG2-CE 3.64Å; I201-M203 HydrophobicContact CG2-CG 4.46Å; I201-F220 WeakPolarHBondContact O-CA 3.31Å; I201-I221 PolarHBondContact N-O 2.98Å; I201-I221 PolarHBondContact O-N 3.23Å; I201-F223 HydrophobicContact CD1-CD2 4.1Å; I201-F223 HydrophobicContact CD1-CE2 3.77Å; I201-F223 HydrophobicContact CG1-CD2 4.38Å; I201-F223 HydrophobicContact CG1-CE2 4.35Å; I201-L238 HydrophobicContact CD1-CD1 3.59Å; I201-L238 HydrophobicContact CD1-CD2 4.17Å; I201-L238 HydrophobicContact CG1-CD1 4Å |
| 202 | G | 81.4 | Confident | 64.1 | Low | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 118.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | R182 Q183 D219 F220 | R182-G202 PolarHBondContact N-O 3.33Å; Q183-G202 PolarHBondContact N-O 2.99Å; Q183-G202 PolarHBondContact O-N 3.27Å; G202-D219 WeakPolarHBondContact CA-O 3.43Å; G202-F220 VanDerWaalsContact CA-CD1 3.44Å |
| 203 | M | 76.3 | Confident | 62.3 | Low | 24 Ų | 24 | 71.8 Ų | 71.8 | 12% | 0.118 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 150 | -179.1 | -62.9 | 169.3 | -169.4 | 0 | 0 | 110.2 | A176 S180 I201 Q205 Y218 D219 I221 | A176-M203 HydrophobicContact CB-CE 3.31Å; A176-M203 HydrophobicContact CB-SD 3.59Å; A176-M203 VanDerWaalsContact CB-SD 3.59Å; S180-M203 WeakPolarHBondContact O-CA 3.5Å; I201-M203 HydrophobicContact CB-CE 4.12Å; I201-M203 HydrophobicContact CG2-CE 3.64Å; I201-M203 HydrophobicContact CG2-CG 4.46Å; M203-Q205 PolarHBondContact O-N 2.89Å; M203-Y218 WeakPolarHBondContact O-CA 3.14Å; M203-Y218 WeakPolarHBondContact O-CB 3.41Å; M203-D219 PolarHBondContact N-O 2.85Å; M203-D219 PolarHBondContact O-N 3.45Å; M203-D219 VanDerWaalsContact O-N 3.13Å; M203-I221 HydrophobicContact CE-CB 4.31Å; M203-I221 HydrophobicContact CE-CD1 3.69Å; M203-I221 HydrophobicContact CE-CG1 3.94Å; M203-I221 HydrophobicContact SD-CD1 3.93Å; M203-I221 HydrophobicContact SD-CG1 4.14Å |
| 204 | E | 64.1 | Low | 60.4 | Low | 73 Ų | 73 | 76 Ų | 76 | 34% | 0.341 | 42% | 0.419 | S | S | . | . | trans | -70 | 117 | 178 | -168.2 | 167.2 | -160.3 | 0 | 0 | 110.9 | S180 R182 S206 | S180-E204 PolarHBondContact O-N 2.92Å; R182-E204 HydrophobicContact CG-CB 3.8Å; R182-E204 IonicContact CZ-OE2 2.71Å; R182-E204 IonicContact NE-OE2 3.37Å; R182-E204 PolarHBondContact NE-OE2 3.17Å; R182-E204 IonicContact NH2-OE1 2.71Å; R182-E204 IonicContact NH2-OE2 3.76Å; R182-E204 PolarHBondContact NH2-OE2 3.42Å; E204-S206 PolarHBondContact O-N 3.05Å | ||
| 205 | Q | 54 | Low | 58.6 | Low | 70 Ų | 70 | 75.5 Ų | 75.5 | 33% | 0.327 | 42% | 0.424 | S | S | . | . | trans | -63.3 | 129.1 | 165.2 | -74.1 | -170.2 | -5.4 | 0 | 0 | 108.9 | M203 I207 Q217 D219 | M203-Q205 PolarHBondContact O-N 2.89Å; Q205-I207 PolarHBondContact O-N 2.94Å; Q205-Q217 WeakPolarHBondContact CG-O 3.44Å; Q205-D219 HydrophobicContact CG-CB 4.37Å; Q205-D219 WeakPolarHBondContact CG-OD2 3.04Å; Q205-D219 VanDerWaalsContact NE2-CG 3.34Å; Q205-D219 PolarHBondContact NE2-OD1 2.87Å; Q205-D219 PolarHBondContact NE2-OD2 2.94Å | ||
| 206 | S | 40.6 | Very low | 56.8 | Low | 68 Ų | 68 | 74.8 Ų | 74.8 | 48% | 0.476 | 43% | 0.429 | S | S | . | . | trans | -56.3 | 109.3 | 171.2 | -48.2 | 0 | 0 | 0 | 0 | 109 | E204 T208 | E204-S206 PolarHBondContact O-N 3.05Å; S206-T208 WeakPolarHBondContact O-CG2 3.28Å; S206-T208 PolarHBondContact O-N 2.74Å | ||
| 207 | I | 37.8 | Very low | 55.3 | Low | 127 Ų | 127 | 81.1 Ų | 81.1 | 65% | 0.651 | 46% | 0.457 | S | S | * | . | trans | -62.8 | 112.5 | -162.2 | -57.8 | 177.4 | 0 | 0 | 0 | 111.3 | Q205 | Q205-I207 PolarHBondContact O-N 2.94Š| ||
| 208 | T | 33.4 | Very low | 54.1 | Low | 91 Ų | 91 | 81.9 Ų | 81.9 | 56% | 0.558 | 46% | 0.46 | S | S | * | . | trans | -115 | -6 | 178.3 | 71.8 | 0 | 0 | 0 | 0 | 113.6 | S206 Y1020 | S206-T208 WeakPolarHBondContact O-CG2 3.28Å; S206-T208 PolarHBondContact O-N 2.74Å; T208-Y1020 HydrophobicContact CG2-CD1 3.69Å; T208-Y1020 HydrophobicContact CG2-CE1 3.21Å; T208-Y1020 HydrophobicContact CG2-CE2 4.15Å; T208-Y1020 HydrophobicContact CG2-CG 4.35Å; T208-Y1020 VanDerWaalsContact CG2-CZ 3.48Å | ||
| 209 | A | 28.6 | Very low | 53.3 | Low | 79 Ų | 79 | 85.3 Ų | 85.3 | 65% | 0.653 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -95.6 | 149.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 210 | A | 32.6 | Very low | 52.8 | Low | 81 Ų | 81 | 88.2 Ų | 88.2 | 67% | 0.669 | 49% | 0.492 | S | S | * | . | trans | -69.5 | 151.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | N212 | A210-N212 PolarHBondContact O-N 3.39Š| ||
| 211 | P | 34.8 | Very low | 52.7 | Low | 126 Ų | 126 | 86.3 Ų | 86.3 | 82% | 0.818 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -77.7 | 39.9 | -167.9 | 34 | -39.2 | 0 | 0 | 0 | 115 | ||
| 212 | N | 34.3 | Very low | 52.6 | Low | 146 Ų | 146 | 87.2 Ų | 87.2 | 78% | 0.781 | 49% | 0.494 | S | S | * | . | trans | -120.5 | 34.2 | -174.4 | -80 | 7.6 | 0 | 0 | 0 | 113.4 | A210 | A210-N212 PolarHBondContact O-N 3.39Š| ||
| 213 | N | 34.9 | Very low | 53 | Low | 146 Ų | 146 | 87.2 Ų | 87.2 | 78% | 0.781 | 49% | 0.494 | S | S | * | . | trans | -156.4 | 123.5 | 165.5 | -117.3 | -25.7 | 0 | 0 | 0 | 112.3 | N215 | N213-N215 PolarHBondContact O-N 2.77Š| ||
| 214 | N | 35.9 | Very low | 53.5 | Low | 162 Ų | 162 | 86.6 Ų | 86.6 | 87% | 0.866 | 49% | 0.491 | S | S | * | . | trans | -85.2 | 37.8 | -171.6 | -68.2 | -2 | 0 | 0 | 0 | 114 | ||||
| 215 | N | 41.3 | Very low | 54.7 | Low | 145 Ų | 145 | 83.1 Ų | 83.1 | 78% | 0.775 | 48% | 0.475 | S | S | * | . | trans | -123.9 | 101.1 | 176.8 | -85.3 | -21.4 | 0 | 0 | 0 | 110.1 | N213 Q217 | N213-N215 PolarHBondContact O-N 2.77Å; N215-Q217 PolarHBondContact O-N 3.11Å; N215-Q217 VanDerWaalsContact O-N 3.09Å | ||
| 216 | S | 45.3 | Very low | 56.4 | Low | 79 Ų | 79 | 84.5 Ų | 84.5 | 55% | 0.552 | 49% | 0.488 | S | S | * | . | trans | -65.1 | 104.2 | 176.1 | -49.4 | 0 | 0 | 0 | 0 | 110.8 | Y218 | S216-Y218 PolarHBondContact O-N 3.24Š| ||
| 217 | Q | 55.4 | Low | 58.5 | Low | 146 Ų | 146 | 83.4 Ų | 83.4 | 68% | 0.682 | 48% | 0.479 | S | S | * | . | trans | -89.1 | 98.5 | 179.3 | -175.2 | 168.7 | -17.8 | 0 | 0 | 110.6 | Q205 N215 | Q205-Q217 WeakPolarHBondContact CG-O 3.44Å; N215-Q217 PolarHBondContact O-N 3.11Å; N215-Q217 VanDerWaalsContact O-N 3.09Å | ||
| 218 | Y | 63.1 | Low | 60.6 | Low | 57 Ų | 57 | 79.1 Ų | 79.1 | 22% | 0.224 | 46% | 0.46 | C | S | . | . | trans | -81.3 | 143.7 | 172.5 | -55.2 | -69.7 | 0 | 0 | 0 | 111.5 | R182 M203 S216 F220 | R182-Y218 HydrophobicContact CB-CD1 4.14Å; R182-Y218 HydrophobicContact CB-CE1 3.67Å; R182-Y218 HydrophobicContact CG-CE1 4.21Å; M203-Y218 WeakPolarHBondContact O-CA 3.14Å; M203-Y218 WeakPolarHBondContact O-CB 3.41Å; S216-Y218 PolarHBondContact O-N 3.24Å; Y218-F220 HydrophobicContact CD2-CZ 4.37Å; Y218-F220 WeakPolarHBondContact O-CD2 3.48Å; Y218-F220 WeakPolarHBondContact O-CE2 3.36Å | ||
| 219 | D | 65.9 | Low | 62.7 | Low | 90 Ų | 90 | 80.2 Ų | 80.2 | 48% | 0.481 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 127.5 | 167.7 | -80.7 | -23.5 | 0 | 0 | 0 | 109.6 | G202 M203 Q205 | G202-D219 WeakPolarHBondContact CA-O 3.43Å; M203-D219 PolarHBondContact N-O 2.85Å; M203-D219 PolarHBondContact O-N 3.45Å; M203-D219 VanDerWaalsContact O-N 3.13Å; Q205-D219 HydrophobicContact CG-CB 4.37Å; Q205-D219 WeakPolarHBondContact CG-OD2 3.04Å; Q205-D219 VanDerWaalsContact NE2-CG 3.34Å; Q205-D219 PolarHBondContact NE2-OD1 2.87Å; Q205-D219 PolarHBondContact NE2-OD2 2.94Å |
| 220 | F | 77.9 | Confident | 65.4 | Low | 60 Ų | 60 | 78.9 Ų | 78.9 | 26% | 0.263 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 106 | -172.3 | -75.3 | -83.8 | 0 | 0 | 0 | 113.2 | I185 R200 I201 G202 Y218 | I185-F220 HydrophobicContact CD1-CE1 3.61Å; I185-F220 HydrophobicContact CD1-CZ 3.78Å; I185-F220 HydrophobicContact CG1-CE1 4.09Å; R200-F220 HydrophobicContact CB-CD1 3.8Å; R200-F220 HydrophobicContact CB-CE1 4.5Å; R200-F220 VanDerWaalsContact NH2-CD2 3.35Å; I201-F220 WeakPolarHBondContact O-CA 3.31Å; G202-F220 VanDerWaalsContact CA-CD1 3.44Å; Y218-F220 HydrophobicContact CD2-CZ 4.37Å; Y218-F220 WeakPolarHBondContact O-CD2 3.48Å; Y218-F220 WeakPolarHBondContact O-CE2 3.36Å |
| 221 | I | 82.4 | Confident | 67.8 | Low | 42 Ų | 42 | 75 Ų | 75 | 22% | 0.215 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 128 | 163 | -53.7 | -168.7 | 0 | 0 | 0 | 108.2 | L144 L175 R200 I201 M203 F223 | L144-I221 HydrophobicContact CD1-CG2 3.77Å; L175-I221 HydrophobicContact CB-CD1 4.17Å; R200-I221 CarbonylContact C-O 3.6Å; R200-I221 WeakPolarHBondContact CA-O 3.45Å; I201-I221 PolarHBondContact N-O 2.98Å; I201-I221 PolarHBondContact O-N 3.23Å; M203-I221 HydrophobicContact CE-CB 4.31Å; M203-I221 HydrophobicContact CE-CD1 3.69Å; M203-I221 HydrophobicContact CE-CG1 3.94Å; M203-I221 HydrophobicContact SD-CD1 3.93Å; M203-I221 HydrophobicContact SD-CG1 4.14Å; I221-F223 HydrophobicContact CB-CE2 4.36Å; I221-F223 HydrophobicContact CG2-CD2 4.36Å; I221-F223 HydrophobicContact CG2-CE2 3.56Å; I221-F223 HydrophobicContact CG2-CZ 3.66Å |
| 222 | S | 85.1 | Confident | 69.9 | Low | 20 Ų | 20 | 73.6 Ų | 73.6 | 14% | 0.14 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 130.5 | -175.1 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | G145 | G145-S222 PolarHBondContact N-O 3.34Å |
| 223 | F | 89.1 | Confident | 72.1 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 130.5 | 175.4 | -62 | -83.7 | 0 | 0 | 0 | 109.7 | R143 L144 L154 I164 L175 Q198 V199 I201 I221 F225 | R143-F223 CarbonylContact O-C 3.59Å; R143-F223 WeakPolarHBondContact O-CA 3.3Å; L144-F223 HydrophobicContact CD1-CD1 4.16Å; L144-F223 HydrophobicContact CD1-CE1 3.66Å; L144-F223 HydrophobicContact CD1-CZ 4.07Å; L154-F223 HydrophobicContact CB-CE1 4.47Å; L154-F223 HydrophobicContact CD1-CD1 4.47Å; L154-F223 HydrophobicContact CD1-CE1 3.91Å; L154-F223 HydrophobicContact CD1-CE2 4.43Å; L154-F223 HydrophobicContact CD1-CZ 3.88Å; L154-F223 HydrophobicContact CD2-CD1 4.07Å; L154-F223 HydrophobicContact CD2-CD2 4.39Å; L154-F223 HydrophobicContact CD2-CE1 4.33Å; L154-F223 HydrophobicContact CD2-CG 4.09Å; L154-F223 HydrophobicContact CG-CE1 4.46Å; I164-F223 HydrophobicContact CG2-CE1 3.83Å; I164-F223 HydrophobicContact CG2-CZ 4.42Å; L175-F223 HydrophobicContact CD1-CE1 4.25Å; L175-F223 HydrophobicContact CD1-CZ 3.7Å; Q198-F223 CarbonylContact C-O 3.56Å; Q198-F223 VanDerWaalsContact CA-O 3.29Å; Q198-F223 WeakPolarHBondContact CA-O 3.32Å; V199-F223 PolarHBondContact N-O 3.06Å; V199-F223 PolarHBondContact O-N 3.34Å; I201-F223 HydrophobicContact CD1-CD2 4.1Å; I201-F223 HydrophobicContact CD1-CE2 3.77Å; I201-F223 HydrophobicContact CG1-CD2 4.38Å; I201-F223 HydrophobicContact CG1-CE2 4.35Å; I221-F223 HydrophobicContact CB-CE2 4.36Å; I221-F223 HydrophobicContact CG2-CD2 4.36Å; I221-F223 HydrophobicContact CG2-CE2 3.56Å; I221-F223 HydrophobicContact CG2-CZ 3.66Å; F223-F225 HydrophobicContact CB-CE2 3.61Å; F223-F225 HydrophobicContact CB-CZ 3.87Å |
| 224 | T | 87 | Confident | 74.5 | Confident | 10 Ų | 10 | 62.4 Ų | 62.4 | 6% | 0.061 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 121.5 | -178.6 | -58.4 | 0 | 0 | 0 | 0 | 110.1 | C142 R143 G145 I191 C196 | C142-T224 WeakPolarHBondContact CB-O 3.32Å; R143-T224 PolarHBondContact N-O 3.27Å; R143-T224 PolarHBondContact O-N 2.9Å; G145-T224 PolarHBondContact O-OG1 2.83Å; I191-T224 HydrophobicContact CD1-CG2 3.6Å; C196-T224 HydrophobicContact CB-CG2 3.87Å |
| 225 | F | 90 | Very high | 76.8 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 152.4 | -179.2 | -57.8 | -91.6 | 0 | 0 | 0 | 111.2 | F140 C142 L154 C196 Y197 V199 F223 E230 A231 V234 | F140-F225 HydrophobicContact CB-CE1 3.92Å; C142-F225 HydrophobicContact CB-CD1 3.67Å; C142-F225 HydrophobicContact CB-CE1 3.51Å; C142-F225 HydrophobicContact CB-CG 4.29Å; C142-F225 HydrophobicContact CB-CZ 4Å; L154-F225 HydrophobicContact CD2-CE1 4.41Å; L154-F225 HydrophobicContact CD2-CZ 3.83Å; C196-F225 WeakPolarHBondContact CA-O 3.39Å; C196-F225 WeakPolarHBondContact CB-O 3.29Å; Y197-F225 PolarHBondContact N-O 3.15Å; Y197-F225 PolarHBondContact O-N 3.12Å; V199-F225 HydrophobicContact CB-CE2 3.97Å; V199-F225 HydrophobicContact CG2-CD2 3.94Å; V199-F225 HydrophobicContact CG2-CE2 3.64Å; F223-F225 HydrophobicContact CB-CE2 3.61Å; F223-F225 HydrophobicContact CB-CZ 3.87Å; F225-E230 HydrophobicContact CB-CB 4.41Å; F225-E230 HydrophobicContact CD1-CB 3.84Å; F225-E230 HydrophobicContact CG-CB 4.38Å; F225-A231 HydrophobicContact CB-CB 4.29Å; F225-A231 HydrophobicContact CD2-CB 3.96Å; F225-A231 HydrophobicContact CG-CB 4.23Å; F225-V234 HydrophobicContact CE1-CG2 3.9Å; F225-V234 HydrophobicContact CZ-CB 4.2Å; F225-V234 HydrophobicContact CZ-CG1 4.15Å; F225-V234 HydrophobicContact CZ-CG2 3.77Å |
| 226 | T | 88.5 | Confident | 78.6 | Confident | 98 Ų | 98 | 54.2 Ų | 54.2 | 60% | 0.601 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -87.9 | -16.1 | 177.6 | 38.7 | 0 | 0 | 0 | 0 | 114.1 | ||
| 227 | T | 84.8 | Confident | 80.5 | Confident | 45 Ų | 45 | 50.8 Ų | 50.8 | 28% | 0.276 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -123.2 | 151.5 | 177 | 71 | 0 | 0 | 0 | 0 | 111 | Y197 E229 E230 | Y197-T227 VanDerWaalsContact CD2-C 3.49Å; T227-E229 VanDerWaalsContact C-N 3.34Å; T227-E229 WeakPolarHBondContact CB-OE2 3.21Å; T227-E230 WeakPolarHBondContact CB-OE2 3.36Å; T227-E230 WeakPolarHBondContact CG2-OE2 3.4Å; T227-E230 PolarHBondContact N-OE2 3.45Å; T227-E230 WeakPolarHBondContact OG1-CB 3.39Å; T227-E230 VanDerWaalsContact OG1-CD 3.22Å; T227-E230 WeakPolarHBondContact OG1-CG 3.38Å; T227-E230 PolarHBondContact OG1-N 2.98Å; T227-E230 VanDerWaalsContact OG1-N 3.15Å; T227-E230 PolarHBondContact OG1-OE2 2.7Å |
| 228 | P | 82.4 | Confident | 81.9 | Confident | 38 Ų | 38 | 43.9 Ų | 43.9 | 25% | 0.247 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.9 | -34 | 169.2 | 26.4 | -30.1 | 0 | 0 | 0 | 111.6 | Y197 E230 A231 D232 | Y197-P228 HydrophobicContact CD1-CB 4.09Å; Y197-P228 HydrophobicContact CD2-CB 4.2Å; Y197-P228 HydrophobicContact CE1-CB 3.83Å; Y197-P228 HydrophobicContact CE2-CB 3.97Å; Y197-P228 VanDerWaalsContact CE2-CD 3.49Å; Y197-P228 HydrophobicContact CE2-CG 4.09Å; Y197-P228 HydrophobicContact CG-CB 4.27Å; P228-E230 PolarHBondContact O-N 3.22Å; P228-A231 PolarHBondContact O-N 3.31Å; P228-A231 VanDerWaalsContact O-N 3.16Å; P228-D232 PolarHBondContact O-N 2.8Å |
| 229 | E | 78.4 | Confident | 82.6 | Confident | 114 Ų | 114 | 44.3 Ų | 44.3 | 53% | 0.533 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.5 | -40.2 | -176.3 | -64.4 | 80.2 | -175.6 | 0 | 0 | 112.5 | T227 T233 | T227-E229 VanDerWaalsContact C-N 3.34Å; T227-E229 WeakPolarHBondContact CB-OE2 3.21Å; E229-T233 WeakPolarHBondContact O-CB 3.18Å; E229-T233 PolarHBondContact O-N 2.99Å; E229-T233 PolarHBondContact O-OG1 3.05Å |
| 230 | E | 85.3 | Confident | 83.1 | Confident | 51 Ų | 51 | 40.6 Ų | 40.6 | 24% | 0.238 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.3 | -43.6 | 173.2 | -70.3 | 164.6 | 128.8 | 0 | 0 | 111.5 | F140 F225 T227 P228 T233 V234 | F140-E230 HydrophobicContact CD1-CB 4.42Å; F225-E230 HydrophobicContact CB-CB 4.41Å; F225-E230 HydrophobicContact CD1-CB 3.84Å; F225-E230 HydrophobicContact CG-CB 4.38Å; T227-E230 WeakPolarHBondContact CB-OE2 3.36Å; T227-E230 WeakPolarHBondContact CG2-OE2 3.4Å; T227-E230 PolarHBondContact N-OE2 3.45Å; T227-E230 WeakPolarHBondContact OG1-CB 3.39Å; T227-E230 VanDerWaalsContact OG1-CD 3.22Å; T227-E230 WeakPolarHBondContact OG1-CG 3.38Å; T227-E230 PolarHBondContact OG1-N 2.98Å; T227-E230 VanDerWaalsContact OG1-N 3.15Å; T227-E230 PolarHBondContact OG1-OE2 2.7Å; P228-E230 PolarHBondContact O-N 3.22Å; E230-T233 PolarHBondContact O-N 2.95Å; E230-V234 WeakPolarHBondContact O-CG2 3.39Å; E230-V234 PolarHBondContact O-N 3.19Å |
| 231 | A | 82.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.6 | -46.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V199 F225 P228 T233 V234 V235 | V199-A231 HydrophobicContact CG2-CB 3.85Å; F225-A231 HydrophobicContact CB-CB 4.29Å; F225-A231 HydrophobicContact CD2-CB 3.96Å; F225-A231 HydrophobicContact CG-CB 4.23Å; P228-A231 PolarHBondContact O-N 3.31Å; P228-A231 VanDerWaalsContact O-N 3.16Å; A231-T233 VanDerWaalsContact C-N 3.32Å; A231-T233 PolarHBondContact O-N 2.94Å; A231-V234 PolarHBondContact O-N 3.06Å; A231-V235 VanDerWaalsContact O-CG2 3.25Å; A231-V235 WeakPolarHBondContact O-CG2 3.24Å; A231-V235 PolarHBondContact O-N 2.83Å |
| 232 | D | 77.5 | Confident | 83 | Confident | 95 Ų | 95 | 37.6 Ų | 37.6 | 51% | 0.508 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.6 | -35.9 | 176.7 | -75.3 | -9.2 | 0 | 0 | 0 | 111.4 | P228 V235 H236 | P228-D232 PolarHBondContact O-N 2.8Å; D232-V235 PolarHBondContact O-N 3.48Å; D232-H236 WeakPolarHBondContact O-CB 3.29Å; D232-H236 PolarHBondContact O-N 2.88Å |
| 233 | T | 81.9 | Confident | 81.7 | Confident | 57 Ų | 57 | 38.5 Ų | 38.5 | 35% | 0.35 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.4 | -45.6 | 174.9 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | F140 E229 E230 A231 V235 H236 L237 | F140-T233 HydrophobicContact CE1-CG2 3.94Å; F140-T233 HydrophobicContact CZ-CG2 3.81Å; E229-T233 WeakPolarHBondContact O-CB 3.18Å; E229-T233 PolarHBondContact O-N 2.99Å; E229-T233 PolarHBondContact O-OG1 3.05Å; E230-T233 PolarHBondContact O-N 2.95Å; A231-T233 VanDerWaalsContact C-N 3.32Å; A231-T233 PolarHBondContact O-N 2.94Å; T233-V235 VanDerWaalsContact C-N 3.32Å; T233-V235 PolarHBondContact O-N 3.4Å; T233-H236 PolarHBondContact O-N 2.85Å; T233-L237 HydrophobicContact CG2-CD1 4.35Å; T233-L237 WeakPolarHBondContact O-CG 3.22Å; T233-L237 PolarHBondContact O-N 3.46Å |
| 234 | V | 84.7 | Confident | 79.4 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.6 | -42.2 | 175.2 | 163 | 0 | 0 | 0 | 0 | 111.4 | F140 L154 I156 V199 F225 E230 A231 L237 L238 | F140-V234 HydrophobicContact CB-CG2 4.39Å; F140-V234 HydrophobicContact CD1-CG2 3.97Å; F140-V234 HydrophobicContact CD2-CG2 3.45Å; F140-V234 VanDerWaalsContact CD2-CG2 3.45Å; F140-V234 HydrophobicContact CE1-CG2 4.07Å; F140-V234 HydrophobicContact CE2-CG2 3.55Å; F140-V234 HydrophobicContact CG-CG2 3.67Å; F140-V234 HydrophobicContact CZ-CG2 3.88Å; L154-V234 HydrophobicContact CD2-CG1 4.19Å; L154-V234 HydrophobicContact CD2-CG2 4.22Å; I156-V234 HydrophobicContact CD1-CB 4.43Å; I156-V234 HydrophobicContact CD1-CG1 3.9Å; I156-V234 HydrophobicContact CD1-CG2 4.21Å; V199-V234 HydrophobicContact CG1-CG1 4.43Å; F225-V234 HydrophobicContact CE1-CG2 3.9Å; F225-V234 HydrophobicContact CZ-CB 4.2Å; F225-V234 HydrophobicContact CZ-CG1 4.15Å; F225-V234 HydrophobicContact CZ-CG2 3.77Å; E230-V234 WeakPolarHBondContact O-CG2 3.39Å; E230-V234 PolarHBondContact O-N 3.19Å; A231-V234 PolarHBondContact O-N 3.06Å; V234-L237 PolarHBondContact O-N 3.23Å; V234-L238 HydrophobicContact CG1-CD1 3.94Å; V234-L238 VanDerWaalsContact O-CG 3.27Å; V234-L238 WeakPolarHBondContact O-CG 3.41Å; V234-L238 PolarHBondContact O-N 2.9Å |
| 235 | V | 83.7 | Confident | 77 | Confident | 25 Ų | 25 | 44.9 Ų | 44.9 | 15% | 0.152 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.7 | -46.3 | 175.6 | 172.9 | 0 | 0 | 0 | 0 | 111 | V184 V186 V199 A231 D232 T233 L237 L238 E239 | V184-V235 HydrophobicContact CG1-CG2 4.07Å; V186-V235 HydrophobicContact CG2-CG2 3.45Å; V186-V235 VanDerWaalsContact CG2-CG2 3.45Å; V199-V235 HydrophobicContact CG1-CG2 3.99Å; V199-V235 HydrophobicContact CG2-CG2 4.11Å; A231-V235 VanDerWaalsContact O-CG2 3.25Å; A231-V235 WeakPolarHBondContact O-CG2 3.24Å; A231-V235 PolarHBondContact O-N 2.83Å; D232-V235 PolarHBondContact O-N 3.48Å; T233-V235 VanDerWaalsContact C-N 3.32Å; T233-V235 PolarHBondContact O-N 3.4Å; V235-L237 VanDerWaalsContact C-N 3.33Å; V235-L237 PolarHBondContact O-N 2.69Å; V235-L238 PolarHBondContact O-N 3.12Å; V235-L238 VanDerWaalsContact O-N 3.17Å; V235-E239 HydrophobicContact CG1-CG 4.4Å; V235-E239 WeakPolarHBondContact O-CG 3.49Å; V235-E239 PolarHBondContact O-N 3.18Å |
| 236 | H | 78.8 | Confident | 74.6 | Confident | 111 Ų | 111 | 48.3 Ų | 48.3 | 51% | 0.514 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.8 | -38.8 | 179.7 | -173.3 | 9.4 | 0 | 0 | 0 | 112.4 | D232 T233 G240 | D232-H236 WeakPolarHBondContact O-CB 3.29Å; D232-H236 PolarHBondContact O-N 2.88Å; T233-H236 PolarHBondContact O-N 2.85Å; H236-G240 PolarHBondContact O-N 2.76Å |
| 237 | L | 85.4 | Confident | 72 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 173.4 | -68.9 | 168.8 | 0 | 0 | 0 | 111.4 | Y12 L13 D138 F140 I156 T233 V234 V235 G240 Y241 | Y12-L237 HydrophobicContact CD1-CD2 4.23Å; L13-L237 HydrophobicContact CD2-CD2 4.37Å; D138-L237 HydrophobicContact CB-CD1 3.76Å; D138-L237 WeakPolarHBondContact OD2-CD1 3.33Å; D138-L237 WeakPolarHBondContact OD2-CD2 3.43Å; F140-L237 HydrophobicContact CE2-CD1 3.69Å; F140-L237 HydrophobicContact CZ-CD1 3.65Å; I156-L237 HydrophobicContact CG2-CB 4.02Å; I156-L237 HydrophobicContact CG2-CD1 4.35Å; T233-L237 HydrophobicContact CG2-CD1 4.35Å; T233-L237 WeakPolarHBondContact O-CG 3.22Å; T233-L237 PolarHBondContact O-N 3.46Å; V234-L237 PolarHBondContact O-N 3.23Å; V235-L237 VanDerWaalsContact C-N 3.33Å; V235-L237 PolarHBondContact O-N 2.69Å; L237-G240 PolarHBondContact O-N 2.9Å; L237-Y241 HydrophobicContact CB-CD2 4.41Å; L237-Y241 HydrophobicContact CD2-CE2 4.23Å; L237-Y241 WeakPolarHBondContact O-CB 3.38Å; L237-Y241 WeakPolarHBondContact O-CD2 3.5Å; L237-Y241 PolarHBondContact O-N 2.71Å |
| 238 | L | 85.1 | Confident | 69.3 | Low | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.6 | -46 | 177.1 | -69.6 | 167.4 | 0 | 0 | 0 | 111.9 | I156 I162 F178 V184 I201 V234 V235 G240 Y241 C242 | I156-L238 HydrophobicContact CD1-CG 4.46Å; I162-L238 HydrophobicContact CD1-CD2 3.64Å; I162-L238 HydrophobicContact CG1-CD2 4.03Å; F178-L238 HydrophobicContact CD1-CD2 4.44Å; F178-L238 HydrophobicContact CE1-CD2 4.39Å; V184-L238 HydrophobicContact CG1-CD1 4.37Å; V184-L238 HydrophobicContact CG2-CB 4.32Å; V184-L238 HydrophobicContact CG2-CD1 4.2Å; I201-L238 HydrophobicContact CD1-CD1 3.59Å; I201-L238 HydrophobicContact CD1-CD2 4.17Å; I201-L238 HydrophobicContact CG1-CD1 4Å; V234-L238 HydrophobicContact CG1-CD1 3.94Å; V234-L238 VanDerWaalsContact O-CG 3.27Å; V234-L238 WeakPolarHBondContact O-CG 3.41Å; V234-L238 PolarHBondContact O-N 2.9Å; V235-L238 PolarHBondContact O-N 3.12Å; V235-L238 VanDerWaalsContact O-N 3.17Å; L238-G240 PolarHBondContact O-N 3.19Å; L238-Y241 PolarHBondContact O-N 3.34Å; L238-C242 VanDerWaalsContact O-CB 3.32Å; L238-C242 WeakPolarHBondContact O-CB 3.39Å; L238-C242 PolarHBondContact O-N 3.36Å; L238-C242 PolarHBondContact O-SG 3.29Å |
| 239 | E | 78.5 | Confident | 66.8 | Low | 67 Ų | 67 | 58 Ų | 58 | 31% | 0.313 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -55.8 | -38.9 | 172.5 | -73.5 | -173.4 | 124.4 | 0 | 0 | 112.2 | V235 R284 | V235-E239 HydrophobicContact CG1-CG 4.4Å; V235-E239 WeakPolarHBondContact O-CG 3.49Å; V235-E239 PolarHBondContact O-N 3.18Å; E239-R284 IonicContact OE1-CZ 2.67Å; E239-R284 IonicContact OE1-NH1 3.95Å; E239-R284 PolarHBondContact OE1-NH1 3.05Å; E239-R284 IonicContact OE1-NH2 2.65Å; E239-R284 PolarHBondContact OE1-NH2 2.68Å; E239-R284 IonicContact OE2-CZ 3.57Å; E239-R284 IonicContact OE2-NH1 2.64Å; E239-R284 PolarHBondContact OE2-NH1 3.47Å; E239-R284 IonicContact OE2-NH2 3.93Å; E239-R284 PolarHBondContact OE2-NH2 2.7Å |
| 240 | G | 76.4 | Confident | 64.6 | Low | 11 Ų | 11 | 59.7 Ų | 59.7 | 11% | 0.113 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -74.6 | -33.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | H236 L237 L238 P282 | H236-G240 PolarHBondContact O-N 2.76Å; L237-G240 PolarHBondContact O-N 2.9Å; L238-G240 PolarHBondContact O-N 3.19Å; G240-P282 WeakPolarHBondContact O-CG 3.44Å |
| 241 | Y | 80.5 | Confident | 61.7 | Low | 33 Ų | 33 | 62.2 Ų | 62.2 | 13% | 0.129 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -92.6 | -22.8 | -177.1 | -79.7 | -62.4 | 0 | 0 | 0 | 114.6 | Y12 L13 F14 I156 F178 L237 L238 G243 | Y12-Y241 PolarHBondContact O-OH 3.11Å; Y12-Y241 VanDerWaalsContact O-OH 3.1Å; L13-Y241 HydrophobicContact CD2-CD1 4.39Å; L13-Y241 HydrophobicContact CD2-CD2 3.79Å; L13-Y241 HydrophobicContact CD2-CE1 4.29Å; L13-Y241 HydrophobicContact CD2-CE2 3.67Å; L13-Y241 HydrophobicContact CD2-CG 4.14Å; F14-Y241 PolarHBondContact N-OH 3.02Å; F14-Y241 VanDerWaalsContact N-OH 3.08Å; F14-Y241 WeakPolarHBondContact O-CE1 3.44Å; I156-Y241 HydrophobicContact CG2-CD2 3.98Å; I156-Y241 HydrophobicContact CG2-CE2 4.11Å; F178-Y241 WeakPolarHBondContact CB-O 3.22Å; F178-Y241 HydrophobicContact CD2-CD1 4.2Å; F178-Y241 HydrophobicContact CD2-CG 4.07Å; F178-Y241 HydrophobicContact CE1-CD2 4.3Å; F178-Y241 HydrophobicContact CE1-CG 4.21Å; F178-Y241 AromaticContact CE2-CD1 3.78Å; F178-Y241 HydrophobicContact CE2-CD1 3.78Å; F178-Y241 HydrophobicContact CE2-CD2 4.21Å; F178-Y241 HydrophobicContact CE2-CE1 4.46Å; F178-Y241 AromaticContact CE2-CG 3.66Å; F178-Y241 HydrophobicContact CE2-CG 3.66Å; F178-Y241 HydrophobicContact CZ-CD1 4.27Å; F178-Y241 AromaticContact CZ-CD2 3.85Å; F178-Y241 HydrophobicContact CZ-CD2 3.85Å; F178-Y241 AromaticContact CZ-CG 3.74Å; F178-Y241 HydrophobicContact CZ-CG 3.74Å; L237-Y241 HydrophobicContact CB-CD2 4.41Å; L237-Y241 HydrophobicContact CD2-CE2 4.23Å; L237-Y241 WeakPolarHBondContact O-CB 3.38Å; L237-Y241 WeakPolarHBondContact O-CD2 3.5Å; L237-Y241 PolarHBondContact O-N 2.71Å; L238-Y241 PolarHBondContact O-N 3.34Å; Y241-G243 PolarHBondContact O-N 2.83Å |
| 242 | C | 78.1 | Confident | 58.9 | Low | 6 Ų | 6 | 69.6 Ų | 69.6 | 4% | 0.041 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -97.3 | 30.5 | -174.9 | -49.5 | 0 | 0 | 0 | 0 | 113.6 | F178 V181 L238 S245 | F178-C242 HydrophobicContact CB-CB 4.45Å; F178-C242 PolarHBondContact O-SG 2.8Å; V181-C242 HydrophobicContact CB-CB 4.35Å; L238-C242 VanDerWaalsContact O-CB 3.32Å; L238-C242 WeakPolarHBondContact O-CB 3.39Å; L238-C242 PolarHBondContact O-N 3.36Å; L238-C242 PolarHBondContact O-SG 3.29Å; C242-S245 PolarHBondContact O-OG 3.27Å |
| 243 | G | 57.7 | Low | 56.4 | Low | 40 Ų | 40 | 68.2 Ų | 68.2 | 41% | 0.412 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 152.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y241 S245 | Y241-G243 PolarHBondContact O-N 2.83Å; G243-S245 PolarHBondContact O-N 3.19Å |
| 244 | E | 39.9 | Very low | 53.6 | Low | 127 Ų | 127 | 72.1 Ų | 72.1 | 59% | 0.593 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | -14 | -179.3 | -61.1 | -170.4 | 154 | 0 | 0 | 117 | M246 | E244-M246 VanDerWaalsContact C-N 3.25Å; E244-M246 PolarHBondContact O-N 3.45Å; E244-M246 VanDerWaalsContact O-N 3.09Å |
| 245 | S | 36.5 | Very low | 50.7 | Low | 17 Ų | 17 | 78.9 Ų | 78.9 | 12% | 0.119 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 27.4 | -178.7 | 69.1 | 0 | 0 | 0 | 0 | 115.6 | R182 C242 G243 | R182-S245 WeakPolarHBondContact CD-O 3.34Å; R182-S245 PolarHBondContact NH1-O 2.99Å; C242-S245 PolarHBondContact O-OG 3.27Å; G243-S245 PolarHBondContact O-N 3.19Å |
| 246 | M | 39.6 | Very low | 47.9 | Very low | 73 Ų | 73 | 84.2 Ų | 84.2 | 36% | 0.36 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.2 | -16.4 | -173.3 | -71.9 | -167.6 | 174.6 | 0 | 0 | 117.5 | E244 I267 | E244-M246 VanDerWaalsContact C-N 3.25Å; E244-M246 PolarHBondContact O-N 3.45Å; E244-M246 VanDerWaalsContact O-N 3.09Å; M246-I267 HydrophobicContact CE-CD1 4.22Å; M246-I267 HydrophobicContact SD-CD1 3.78Å |
| 247 | D | 34.5 | Very low | 45.3 | Very low | 130 Ų | 130 | 83.8 Ų | 83.8 | 70% | 0.695 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -92.6 | -13.5 | -162.6 | -66.3 | -54.3 | 0 | 0 | 0 | 116.9 | I249 | D247-I249 VanDerWaalsContact C-N 3.33Å; D247-I249 PolarHBondContact O-N 2.94Å |
| 248 | D | 27.6 | Very low | 42.4 | Very low | 157 Ų | 157 | 91.3 Ų | 91.3 | 84% | 0.84 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -78.7 | -0 | -164.3 | -112 | -13.2 | 0 | 0 | 0 | 116.4 | ||
| 249 | I | 29.5 | Very low | 39.6 | Very low | 97 Ų | 97 | 98 Ų | 98 | 50% | 0.497 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -137.3 | 76.9 | -173.1 | -44 | 177.4 | 0 | 0 | 0 | 112.8 | D247 | D247-I249 VanDerWaalsContact C-N 3.33Å; D247-I249 PolarHBondContact O-N 2.94Å |
| 250 | L | 32.2 | Very low | 37 | Very low | 149 Ų | 149 | 101.6 Ų | 101.6 | 78% | 0.78 | 58% | 0.583 | S | S | * | * | trans | -170.1 | 66.8 | 147.4 | -108.7 | 160.9 | 0 | 0 | 0 | 114.2 | ||||
| 251 | S | 24.5 | Very low | 34.8 | Very low | 104 Ų | 104 | 110.5 Ų | 110.5 | 73% | 0.727 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -85.3 | 130.3 | 149.4 | 58.5 | 0 | 0 | 0 | 0 | 109 | ||
| 252 | N | 24.9 | Very low | 32.3 | Very low | 155 Ų | 155 | 115 Ų | 115 | 83% | 0.829 | 64% | 0.643 | S | S | * | * | S | Bend | trans | 76.3 | 105.1 | -176.8 | -41.4 | -60.3 | 0 | 0 | 0 | 116.3 | ||
| 253 | G | 24.4 | Very low | 30.1 | Very low | 67 Ų | 67 | 118.6 Ų | 118.6 | 69% | 0.691 | 67% | 0.669 | S | S | * | * | trans | 177.8 | 136.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 254 | T | 23.3 | Very low | 28.7 | Very low | 138 Ų | 138 | 122.9 Ų | 122.9 | 85% | 0.847 | 68% | 0.676 | S | S | * | * | trans | -145.8 | 168.3 | 179.1 | 51.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 255 | L | 24.8 | Very low | 28.4 | Very low | 143 Ų | 143 | 125.3 Ų | 125.3 | 75% | 0.749 | 68% | 0.68 | S | S | * | * | cis | -143.6 | -178 | 16.6 | -168.9 | 51.5 | 0 | 0 | 0 | 111.8 | ||||
| 256 | N | 23.8 | Very low | 28 | Very low | 137 Ų | 137 | 132 Ų | 132 | 73% | 0.733 | 71% | 0.709 | S | S | * | * | trans | -34.8 | 147.9 | 172 | -55.7 | -35.4 | 0 | 0 | 0 | 117.2 | ||||
| 257 | S | 24.3 | Very low | 27.7 | Very low | 102 Ų | 102 | 132.7 Ų | 132.7 | 71% | 0.713 | 71% | 0.714 | S | S | * | * | trans | 64.6 | 118.2 | 137.5 | 176.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 258 | L | 24.3 | Very low | 27.5 | Very low | 164 Ų | 164 | 134 Ų | 134 | 86% | 0.859 | 72% | 0.721 | S | S | * | * | -165.1 | 169.6 | 104.9 | -124.2 | 105.6 | 0 | 0 | 0 | 112.7 | |||||
| 259 | N | 25.9 | Very low | 28.1 | Very low | 142 Ų | 142 | 129.6 Ų | 129.6 | 76% | 0.759 | 70% | 0.702 | S | S | * | * | trans | -82.7 | 136.7 | 175.3 | -61.4 | -40.5 | 0 | 0 | 0 | 111.9 | ||||
| 260 | N | 25.1 | Very low | 28 | Very low | 142 Ų | 142 | 129.5 Ų | 129.5 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | 171.4 | 127.9 | 125.9 | -89.2 | -20 | 0 | 0 | 0 | 113.3 | E262 | N260-E262 VanDerWaalsContact C-N 3.29Å; N260-E262 PolarHBondContact O-N 3.12Å | |||
| 261 | H | 29.5 | Very low | 28 | Very low | 197 Ų | 197 | 126.9 Ų | 126.9 | 91% | 0.912 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 46.9 | -8.4 | 153.6 | -82.5 | -74.7 | 0 | 0 | 0 | 123.8 | ||
| 262 | E | 27.9 | Very low | 28.4 | Very low | 127 Ų | 127 | 126.6 Ų | 126.6 | 59% | 0.593 | 71% | 0.705 | S | S | * | * | trans | -85.7 | 123.5 | 162.7 | -71 | -162.7 | 142.6 | 0 | 0 | 110.7 | N260 K264 | N260-E262 VanDerWaalsContact C-N 3.29Å; N260-E262 PolarHBondContact O-N 3.12Å; E262-K264 HydrophobicContact CB-CB 4.26Å; E262-K264 PolarHBondContact O-N 3.03Å; E262-K264 IonicContact OE2-NZ 3.7Å; E262-K264 PolarHBondContact OE2-NZ 3.25Å | ||
| 263 | S | 31.3 | Very low | 28.7 | Very low | 82 Ų | 82 | 124.2 Ų | 124.2 | 57% | 0.573 | 70% | 0.699 | S | S | * | * | trans | -74.4 | 61 | 166.5 | -61.6 | 0 | 0 | 0 | 0 | 110.8 | W265 | S263-W265 PolarHBondContact O-N 2.96Š| ||
| 264 | K | 28.3 | Very low | 29.4 | Very low | 130 Ų | 130 | 125.4 Ų | 125.4 | 57% | 0.565 | 70% | 0.696 | S | S | * | * | trans | -77.5 | 87.9 | -172.8 | -162.1 | 170.6 | -161.1 | 148.2 | 0 | 110.5 | E262 Q266 | E262-K264 HydrophobicContact CB-CB 4.26Å; E262-K264 PolarHBondContact O-N 3.03Å; E262-K264 IonicContact OE2-NZ 3.7Å; E262-K264 PolarHBondContact OE2-NZ 3.25Å; K264-Q266 PolarHBondContact O-N 3.44Å | ||
| 265 | W | 33.9 | Very low | 29.9 | Very low | 178 Ų | 178 | 122.5 Ų | 122.5 | 67% | 0.674 | 68% | 0.676 | S | S | * | * | trans | -64.6 | 79.9 | 174.6 | -62.8 | 98.2 | 0 | 0 | 0 | 111.3 | S263 I267 | S263-W265 PolarHBondContact O-N 2.96Å; W265-I267 PolarHBondContact O-N 3.4Å | ||
| 266 | Q | 29.5 | Very low | 30.5 | Very low | 157 Ų | 157 | 119.2 Ų | 119.2 | 73% | 0.734 | 66% | 0.655 | S | S | * | * | trans | -71.2 | 115.2 | 160.4 | -70.8 | -173.8 | -72.6 | 0 | 0 | 107.8 | K264 N268 | K264-Q266 PolarHBondContact O-N 3.44Å; Q266-N268 PolarHBondContact O-N 3.28Å | ||
| 267 | I | 32.3 | Very low | 31.3 | Very low | 89 Ų | 89 | 117.1 Ų | 117.1 | 46% | 0.456 | 64% | 0.644 | S | S | . | * | trans | -69.3 | 101.3 | 179.3 | -60.9 | 174.3 | 0 | 0 | 0 | 108 | M246 W265 | M246-I267 HydrophobicContact CE-CD1 4.22Å; M246-I267 HydrophobicContact SD-CD1 3.78Å; W265-I267 PolarHBondContact O-N 3.4Å | ||
| 268 | N | 30.8 | Very low | 32 | Very low | 158 Ų | 158 | 119 Ų | 119 | 85% | 0.845 | 65% | 0.654 | S | S | * | * | trans | -108.6 | 90.8 | -176.7 | -127.8 | -18.6 | 0 | 0 | 0 | 108 | Q266 | Q266-N268 PolarHBondContact O-N 3.28Š| ||
| 269 | S | 39.5 | Very low | 32.7 | Very low | 64 Ų | 64 | 116.7 Ų | 116.7 | 45% | 0.448 | 64% | 0.642 | S | S | . | * | trans | -140.4 | 93.6 | -178.4 | 51.2 | 0 | 0 | 0 | 0 | 111.9 | I271 | S269-I271 VanDerWaalsContact C-N 3.28Å; S269-I271 PolarHBondContact O-N 3Å | ||
| 270 | G | 28.9 | Very low | 33 | Very low | 94 Ų | 94 | 112.1 Ų | 112.1 | 97% | 0.969 | 63% | 0.629 | S | S | * | * | trans | -70.5 | 85.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 271 | I | 32.1 | Very low | 33.4 | Very low | 94 Ų | 94 | 108 Ų | 108 | 48% | 0.482 | 61% | 0.611 | S | S | . | * | trans | -122.6 | 133 | 176.8 | -66 | 176.1 | 0 | 0 | 0 | 107.4 | S269 D275 F276 | S269-I271 VanDerWaalsContact C-N 3.28Å; S269-I271 PolarHBondContact O-N 3Å; I271-D275 HydrophobicContact CG2-CB 3.77Å; I271-F276 HydrophobicContact CG2-CE2 4.38Å | ||
| 272 | T | 31.4 | Very low | 33.4 | Very low | 99 Ų | 99 | 100.6 Ų | 100.6 | 61% | 0.607 | 58% | 0.58 | S | S | * | * | trans | -95.3 | 155.2 | 175.9 | 44.6 | 0 | 0 | 0 | 0 | 111.1 | S274 D275 | T272-S274 PolarHBondContact O-N 3Å; T272-S274 PolarHBondContact O-OG 3.41Å; T272-S274 PolarHBondContact OG1-OG 3.32Å; T272-D275 PolarHBondContact O-N 3.25Å | ||
| 273 | C | 32.7 | Very low | 33.8 | Very low | 104 Ų | 104 | 101.2 Ų | 101.2 | 70% | 0.703 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -50.1 | -14.7 | 178.4 | -173.6 | 0 | 0 | 0 | 0 | 115.1 | D275 | C273-D275 VanDerWaalsContact C-N 3.28Å; C273-D275 PolarHBondContact O-N 2.83Å |
| 274 | S | 37.2 | Very low | 33.7 | Very low | 92 Ų | 92 | 105.8 Ų | 105.8 | 64% | 0.643 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -65.9 | -16.2 | 172.7 | 54 | 0 | 0 | 0 | 0 | 116 | T272 | T272-S274 PolarHBondContact O-N 3Å; T272-S274 PolarHBondContact O-OG 3.41Å; T272-S274 PolarHBondContact OG1-OG 3.32Å |
| 275 | D | 34.8 | Very low | 33.8 | Very low | 77 Ų | 77 | 103.1 Ų | 103.1 | 41% | 0.412 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -89.3 | 5 | -176.4 | -91.2 | -7.5 | 0 | 0 | 0 | 114.3 | I271 T272 C273 K290 | I271-D275 HydrophobicContact CG2-CB 3.77Å; T272-D275 PolarHBondContact O-N 3.25Å; C273-D275 VanDerWaalsContact C-N 3.28Å; C273-D275 PolarHBondContact O-N 2.83Å; D275-K290 IonicContact OD1-NZ 3.21Å; D275-K290 PolarHBondContact OD1-NZ 2.57Å; D275-K290 IonicContact OD2-NZ 2.7Å; D275-K290 PolarHBondContact OD2-NZ 2.93Å |
| 276 | F | 38 | Very low | 33.6 | Very low | 74 Ų | 74 | 99.4 Ų | 99.4 | 33% | 0.325 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -108.3 | 150 | -175.8 | -65.6 | -91 | 0 | 0 | 0 | 113.6 | I271 P282 | I271-F276 HydrophobicContact CG2-CE2 4.38Å; F276-P282 HydrophobicContact CE1-CB 4.26Å |
| 277 | L | 40 | Very low | 33.8 | Very low | 93 Ų | 93 | 94.8 Ų | 94.8 | 49% | 0.487 | 56% | 0.56 | S | S | . | * | trans | -80.4 | 152.1 | 167.5 | -73.9 | 173.1 | 0 | 0 | 0 | 110.6 | N279 G280 | L277-N279 VanDerWaalsContact CB-OD1 3.31Å; L277-N279 WeakPolarHBondContact CB-OD1 3.49Å; L277-N279 PolarHBondContact O-N 3.33Å; L277-G280 PolarHBondContact O-N 3.49Å; L277-G280 VanDerWaalsContact O-N 3.11Å | ||
| 278 | P | 37.7 | Very low | 34 | Very low | 142 Ų | 142 | 95 Ų | 95 | 92% | 0.922 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | 8.8 | 180 | -24 | 34.9 | 0 | 0 | 0 | 116.9 | ||
| 279 | N | 40.6 | Very low | 34.5 | Very low | 115 Ų | 115 | 89.7 Ų | 89.7 | 62% | 0.615 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116 | 8.8 | 178.3 | 65.7 | -0.1 | 0 | 0 | 0 | 113.4 | L277 C281 | L277-N279 VanDerWaalsContact CB-OD1 3.31Å; L277-N279 WeakPolarHBondContact CB-OD1 3.49Å; L277-N279 PolarHBondContact O-N 3.33Å; N279-C281 PolarHBondContact O-N 2.87Å |
| 280 | G | 31.2 | Very low | 34.6 | Very low | 47 Ų | 47 | 90.7 Ų | 90.7 | 49% | 0.485 | 54% | 0.535 | S | S | . | . | trans | 73.7 | 16.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | L277 | L277-G280 PolarHBondContact O-N 3.49Å; L277-G280 VanDerWaalsContact O-N 3.11Å | ||
| 281 | C | 33.1 | Very low | 35.4 | Very low | 55 Ų | 55 | 89.3 Ų | 89.3 | 37% | 0.372 | 51% | 0.51 | S | S | . | . | trans | -92.1 | 118.8 | -177.5 | -149.5 | 0 | 0 | 0 | 0 | 111.5 | N279 F283 | N279-C281 PolarHBondContact O-N 2.87Å; C281-F283 PolarHBondContact O-N 3.41Å; C281-F283 VanDerWaalsContact O-N 3.16Å | ||
| 282 | P | 31.4 | Very low | 36.2 | Very low | 42 Ų | 42 | 88 Ų | 88 | 27% | 0.273 | 50% | 0.502 | S | S | . | . | trans | -76.2 | 104.1 | -174.3 | 28.9 | -34 | 0 | 0 | 0 | 112.2 | G240 F276 R284 | G240-P282 WeakPolarHBondContact O-CG 3.44Å; F276-P282 HydrophobicContact CE1-CB 4.26Å; P282-R284 PolarHBondContact O-N 3.43Å; P282-R284 VanDerWaalsContact O-N 3.1Å | ||
| 283 | F | 36 | Very low | 37.7 | Very low | 140 Ų | 140 | 83.7 Ų | 83.7 | 61% | 0.614 | 48% | 0.476 | S | S | * | . | trans | -84.4 | 85.8 | -177.8 | -144.8 | -66.7 | 0 | 0 | 0 | 111.6 | C281 L285 | C281-F283 PolarHBondContact O-N 3.41Å; C281-F283 VanDerWaalsContact O-N 3.16Å; F283-L285 HydrophobicContact CD1-CB 3.85Å; F283-L285 HydrophobicContact CD1-CD1 4.08Å; F283-L285 HydrophobicContact CD1-CG 4.01Å; F283-L285 HydrophobicContact CE1-CB 4.2Å; F283-L285 HydrophobicContact CE1-CD1 3.98Å; F283-L285 HydrophobicContact CE1-CG 3.87Å; F283-L285 PolarHBondContact O-N 3.25Å | ||
| 284 | R | 28.5 | Very low | 39.2 | Very low | 177 Ų | 177 | 84.9 Ų | 84.9 | 67% | 0.668 | 47% | 0.471 | S | S | * | . | trans | -69.3 | 68.8 | 165.5 | -107.9 | -165.3 | -168.8 | 155.7 | 11.5 | 111 | E239 P282 C286 | E239-R284 IonicContact OE1-CZ 2.67Å; E239-R284 IonicContact OE1-NH1 3.95Å; E239-R284 PolarHBondContact OE1-NH1 3.05Å; E239-R284 IonicContact OE1-NH2 2.65Å; E239-R284 PolarHBondContact OE1-NH2 2.68Å; E239-R284 IonicContact OE2-CZ 3.57Å; E239-R284 IonicContact OE2-NH1 2.64Å; E239-R284 PolarHBondContact OE2-NH1 3.47Å; E239-R284 IonicContact OE2-NH2 3.93Å; E239-R284 PolarHBondContact OE2-NH2 2.7Å; P282-R284 PolarHBondContact O-N 3.43Å; P282-R284 VanDerWaalsContact O-N 3.1Å; R284-C286 PolarHBondContact O-N 3.14Å | ||
| 285 | L | 31 | Very low | 40.7 | Very low | 75 Ų | 75 | 89.9 Ų | 89.9 | 39% | 0.393 | 48% | 0.476 | S | S | . | . | trans | -63.5 | 130.1 | 163.5 | -135.7 | 158.9 | 0 | 0 | 0 | 107 | F283 T287 Y393 | F283-L285 HydrophobicContact CD1-CB 3.85Å; F283-L285 HydrophobicContact CD1-CD1 4.08Å; F283-L285 HydrophobicContact CD1-CG 4.01Å; F283-L285 HydrophobicContact CE1-CB 4.2Å; F283-L285 HydrophobicContact CE1-CD1 3.98Å; F283-L285 HydrophobicContact CE1-CG 3.87Å; F283-L285 PolarHBondContact O-N 3.25Å; L285-T287 VanDerWaalsContact C-N 3.3Å; L285-T287 HydrophobicContact CB-CG2 4.26Å; L285-T287 WeakPolarHBondContact O-CG2 3.48Å; L285-T287 PolarHBondContact O-N 3.24Å; L285-Y393 WeakPolarHBondContact CD1-OH 3.43Å | ||
| 286 | C | 28.3 | Very low | 43 | Very low | 100 Ų | 100 | 88.3 Ų | 88.3 | 68% | 0.676 | 47% | 0.467 | S | S | * | . | trans | -67.8 | 94.3 | 170.1 | -174.7 | 0 | 0 | 0 | 0 | 108.1 | R284 T288 | R284-C286 PolarHBondContact O-N 3.14Å; C286-T288 PolarHBondContact O-N 2.98Å; C286-T288 PolarHBondContact O-OG1 3.09Å | ||
| 287 | T | 34 | Very low | 45.3 | Very low | 60 Ų | 60 | 89.7 Ų | 89.7 | 37% | 0.368 | 48% | 0.475 | S | S | . | . | trans | -80.8 | 56.7 | -173.2 | 56.2 | 0 | 0 | 0 | 0 | 112.4 | L285 T289 K290 S291 | L285-T287 VanDerWaalsContact C-N 3.3Å; L285-T287 HydrophobicContact CB-CG2 4.26Å; L285-T287 WeakPolarHBondContact O-CG2 3.48Å; L285-T287 PolarHBondContact O-N 3.24Å; T287-T289 PolarHBondContact O-N 3.14Å; T287-T289 VanDerWaalsContact O-N 3.16Å; T287-K290 HydrophobicContact CG2-CB 4.28Å; T287-K290 HydrophobicContact CG2-CD 4.17Å; T287-K290 HydrophobicContact CG2-CG 3.89Å; T287-K290 PolarHBondContact O-N 3.47Å; T287-K290 VanDerWaalsContact O-N 3.11Å; T287-S291 PolarHBondContact O-N 2.87Å; T287-S291 PolarHBondContact O-OG 3.39Å | ||
| 288 | T | 36.1 | Very low | 47.6 | Very low | 92 Ų | 92 | 85.7 Ų | 85.7 | 56% | 0.564 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -29.2 | 159.6 | 42.7 | 0 | 0 | 0 | 0 | 111.2 | C286 S291 | C286-T288 PolarHBondContact O-N 2.98Å; C286-T288 PolarHBondContact O-OG1 3.09Å; T288-S291 PolarHBondContact O-OG 2.81Å; T288-S291 VanDerWaalsContact O-OG 3.13Å |
| 289 | T | 41.4 | Very low | 49.8 | Very low | 48 Ų | 48 | 83.6 Ų | 83.6 | 29% | 0.294 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -58 | 167.2 | 50.5 | 0 | 0 | 0 | 0 | 113.5 | T287 S291 Q292 L293 | T287-T289 PolarHBondContact O-N 3.14Å; T287-T289 VanDerWaalsContact O-N 3.16Å; T289-S291 VanDerWaalsContact C-N 3.29Å; T289-S291 PolarHBondContact O-N 3.44Å; T289-Q292 PolarHBondContact O-N 3.08Å; T289-L293 WeakPolarHBondContact O-CB 3.44Å; T289-L293 WeakPolarHBondContact O-CG 3.5Å; T289-L293 PolarHBondContact O-N 3.4Å |
| 290 | K | 42.1 | Very low | 52.1 | Low | 85 Ų | 85 | 80.6 Ų | 80.6 | 37% | 0.37 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -56.7 | -40.2 | 179.8 | -68.2 | -164 | 178.3 | -167.5 | 0 | 111.9 | D275 T287 Q292 L293 Q294 | D275-K290 IonicContact OD1-NZ 3.21Å; D275-K290 PolarHBondContact OD1-NZ 2.57Å; D275-K290 IonicContact OD2-NZ 2.7Å; D275-K290 PolarHBondContact OD2-NZ 2.93Å; T287-K290 HydrophobicContact CG2-CB 4.28Å; T287-K290 HydrophobicContact CG2-CD 4.17Å; T287-K290 HydrophobicContact CG2-CG 3.89Å; T287-K290 PolarHBondContact O-N 3.47Å; T287-K290 VanDerWaalsContact O-N 3.11Å; K290-Q292 PolarHBondContact O-N 3.01Å; K290-L293 PolarHBondContact O-N 3.01Å; K290-Q294 VanDerWaalsContact O-CB 3.32Å; K290-Q294 WeakPolarHBondContact O-CB 3.35Å; K290-Q294 VanDerWaalsContact O-CG 3.3Å; K290-Q294 WeakPolarHBondContact O-CG 3.02Å; K290-Q294 PolarHBondContact O-N 3.41Å |
| 291 | S | 45.9 | Very low | 54.8 | Low | 64 Ų | 64 | 84.7 Ų | 84.7 | 45% | 0.448 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.5 | -17.6 | 179 | 63 | 0 | 0 | 0 | 0 | 115.3 | T287 T288 T289 | T287-S291 PolarHBondContact O-N 2.87Å; T287-S291 PolarHBondContact O-OG 3.39Å; T288-S291 PolarHBondContact O-OG 2.81Å; T288-S291 VanDerWaalsContact O-OG 3.13Å; T289-S291 VanDerWaalsContact C-N 3.29Å; T289-S291 PolarHBondContact O-N 3.44Å |
| 292 | Q | 49.6 | Very low | 57.4 | Low | 66 Ų | 66 | 83.2 Ų | 83.2 | 31% | 0.308 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -95.3 | -42.7 | 168.1 | -66.1 | -166 | 6.2 | 0 | 0 | 111.9 | T289 K290 Q294 R295 H404 | T289-Q292 PolarHBondContact O-N 3.08Å; K290-Q292 PolarHBondContact O-N 3.01Å; Q292-Q294 VanDerWaalsContact C-N 3.29Å; Q292-Q294 PolarHBondContact O-N 2.94Å; Q292-R295 VanDerWaalsContact O-CB 3.31Å; Q292-R295 WeakPolarHBondContact O-CB 3.39Å; Q292-R295 WeakPolarHBondContact O-CG 3.31Å; Q292-R295 PolarHBondContact O-N 2.9Å; Q292-H404 PolarHBondContact OE1-CE1 2.77Å; Q292-H404 PolarHBondContact OE1-ND1 2.71Å |
| 293 | L | 61.5 | Low | 60.3 | Low | 10 Ų | 10 | 81.6 Ų | 81.6 | 5% | 0.052 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.8 | -29.4 | 178.9 | -69.6 | 167.2 | 0 | 0 | 0 | 112.9 | T289 K290 R295 L296 E297 L400 A403 V420 | T289-L293 WeakPolarHBondContact O-CB 3.44Å; T289-L293 WeakPolarHBondContact O-CG 3.5Å; T289-L293 PolarHBondContact O-N 3.4Å; K290-L293 PolarHBondContact O-N 3.01Å; L293-R295 PolarHBondContact O-N 3.03Å; L293-R295 VanDerWaalsContact O-N 3.11Å; L293-L296 HydrophobicContact CD2-CD1 4.25Å; L293-L296 CarbonylContact O-C 3.52Å; L293-L296 VanDerWaalsContact O-CA 3.32Å; L293-L296 WeakPolarHBondContact O-CA 3.46Å; L293-L296 WeakPolarHBondContact O-CB 3.45Å; L293-L296 PolarHBondContact O-N 3.37Å; L293-E297 PolarHBondContact O-N 3.47Å; L293-L400 HydrophobicContact CD1-CD2 4.24Å; L293-A403 HydrophobicContact CD2-CB 4.16Å; L293-V420 HydrophobicContact CD2-CG2 4.1Å |
| 294 | Q | 64.8 | Low | 62.9 | Low | 128 Ų | 128 | 77.7 Ų | 77.7 | 60% | 0.598 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -24.6 | 170 | -86.6 | 179.2 | -18.3 | 0 | 0 | 113.4 | K290 Q292 L296 | K290-Q294 VanDerWaalsContact O-CB 3.32Å; K290-Q294 WeakPolarHBondContact O-CB 3.35Å; K290-Q294 VanDerWaalsContact O-CG 3.3Å; K290-Q294 WeakPolarHBondContact O-CG 3.02Å; K290-Q294 PolarHBondContact O-N 3.41Å; Q292-Q294 VanDerWaalsContact C-N 3.29Å; Q292-Q294 PolarHBondContact O-N 2.94Å; Q294-L296 VanDerWaalsContact C-N 3.32Å |
| 295 | R | 69.7 | Low | 66 | Low | 198 Ų | 198 | 72 Ų | 72 | 75% | 0.747 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -21.2 | 174.1 | -50.1 | -179 | -160.7 | 162.1 | 4.9 | 112.7 | Q292 L293 | Q292-R295 VanDerWaalsContact O-CB 3.31Å; Q292-R295 WeakPolarHBondContact O-CB 3.39Å; Q292-R295 WeakPolarHBondContact O-CG 3.31Å; Q292-R295 PolarHBondContact O-N 2.9Å; L293-R295 PolarHBondContact O-N 3.03Å; L293-R295 VanDerWaalsContact O-N 3.11Å |
| 296 | L | 82.1 | Confident | 68.8 | Low | 44 Ų | 44 | 72.7 Ų | 72.7 | 23% | 0.23 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -100.2 | 0.7 | 178.6 | -66.4 | 169 | 0 | 0 | 0 | 111.6 | L293 Q294 I298 L417 G419 V420 | L293-L296 HydrophobicContact CD2-CD1 4.25Å; L293-L296 CarbonylContact O-C 3.52Å; L293-L296 VanDerWaalsContact O-CA 3.32Å; L293-L296 WeakPolarHBondContact O-CA 3.46Å; L293-L296 WeakPolarHBondContact O-CB 3.45Å; L293-L296 PolarHBondContact O-N 3.37Å; Q294-L296 VanDerWaalsContact C-N 3.32Å; L296-I298 PolarHBondContact O-N 3.45Å; L296-L417 HydrophobicContact CD1-CD2 4.06Å; L296-G419 CarbonylContact O-C 3.53Å; L296-G419 WeakPolarHBondContact O-CA 3.35Å; L296-V420 PolarHBondContact O-N 3.04Å |
| 297 | E | 86.6 | Confident | 71.8 | Confident | 103 Ų | 103 | 73.5 Ų | 73.5 | 48% | 0.481 | 37% | 0.37 | S | S | . | . | B | Isolated β-bridge | trans | -71.3 | 125.6 | -170.9 | -168.8 | 149.9 | -128.4 | 0 | 0 | 112.5 | L293 V420 S422 | L293-E297 PolarHBondContact O-N 3.47Å; E297-V420 WeakPolarHBondContact CA-O 3.46Å; E297-S422 VanDerWaalsContact OE1-CB 3.24Å; E297-S422 WeakPolarHBondContact OE1-CB 3.39Å; E297-S422 PolarHBondContact OE1-OG 3.14Å |
| 298 | I | 87.7 | Confident | 74.5 | Confident | 9 Ų | 9 | 74.2 Ų | 74.2 | 5% | 0.046 | 38% | 0.375 | C | S | . | . | trans | -115.8 | 131.4 | 179.7 | -69.7 | 177 | 0 | 0 | 0 | 108.6 | L296 R300 S302 V303 Y322 F418 G419 V420 C421 V429 | L296-I298 PolarHBondContact O-N 3.45Å; I298-R300 PolarHBondContact O-N 2.82Å; I298-S302 WeakPolarHBondContact CG2-OG 3.09Å; I298-V303 HydrophobicContact CG2-CG2 3.83Å; I298-Y322 HydrophobicContact CD1-CE1 3.8Å; I298-Y322 HydrophobicContact CD1-CE2 4.22Å; I298-Y322 HydrophobicContact CG2-CD2 4.47Å; I298-Y322 HydrophobicContact CG2-CE2 3.87Å; I298-F418 HydrophobicContact CD1-CB 4.42Å; I298-G419 VanDerWaalsContact CD1-CA 3.5Å; I298-V420 PolarHBondContact N-O 2.72Å; I298-C421 PolarHBondContact O-SG 2.94Å; I298-V429 HydrophobicContact CD1-CB 3.98Å; I298-V429 HydrophobicContact CD1-CG1 4.25Å; I298-V429 HydrophobicContact CD1-CG2 4.13Å | ||
| 299 | N | 84.6 | Confident | 77.1 | Confident | 98 Ų | 98 | 73.6 Ų | 73.6 | 52% | 0.524 | 37% | 0.367 | S | S | . | . | trans | -69.9 | 123.1 | 171.7 | 177 | -92.5 | 0 | 0 | 0 | 110 | N301 S302 | N299-N301 PolarHBondContact O-N 3.17Å; N299-N301 VanDerWaalsContact O-N 3.1Å; N299-N301 WeakPolarHBondContact OD1-CB 3.35Å; N299-N301 PolarHBondContact OD1-N 3.06Å; N299-S302 WeakPolarHBondContact O-CB 3.5Å; N299-S302 PolarHBondContact O-N 2.87Å; N299-S302 PolarHBondContact O-OG 3.07Å | ||
| 300 | R | 88.7 | Confident | 79.2 | Confident | 52 Ų | 52 | 72.8 Ų | 72.8 | 20% | 0.196 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -46.4 | -42.7 | -177.3 | 178.9 | 169.9 | -71.8 | -164.5 | -7.6 | 114.1 | I298 S302 V303 D423 E424 P425 W427 | I298-R300 PolarHBondContact O-N 2.82Å; R300-S302 PolarHBondContact O-N 3.3Å; R300-S302 VanDerWaalsContact O-N 3.09Å; R300-V303 PolarHBondContact O-N 2.67Å; R300-D423 PolarHBondContact NH2-O 2.98Å; R300-E424 PolarHBondContact NH1-O 2.65Å; R300-E424 VanDerWaalsContact NH2-C 3.33Å; R300-E424 PolarHBondContact NH2-O 2.82Å; R300-P425 PolarHBondContact NH2-O 3.5Å; R300-W427 HydrophobicContact CG-CE3 4.36Å; R300-W427 HydrophobicContact CG-CH2 3.91Å; R300-W427 HydrophobicContact CG-CZ3 3.78Å |
| 301 | N | 87 | Confident | 81 | Confident | 132 Ų | 132 | 75.8 Ų | 75.8 | 71% | 0.706 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -69.2 | -9.1 | -175.9 | -56 | -15.6 | 0 | 0 | 0 | 113.8 | N299 | N299-N301 PolarHBondContact O-N 3.17Å; N299-N301 VanDerWaalsContact O-N 3.1Å; N299-N301 WeakPolarHBondContact OD1-CB 3.35Å; N299-N301 PolarHBondContact OD1-N 3.06Å |
| 302 | S | 88.6 | Confident | 82.3 | Confident | 25 Ų | 25 | 73.7 Ų | 73.7 | 18% | 0.175 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -84.5 | -10.7 | 170.5 | 68.9 | 0 | 0 | 0 | 0 | 113.7 | I298 N299 R300 Y322 R323 | I298-S302 WeakPolarHBondContact CG2-OG 3.09Å; N299-S302 WeakPolarHBondContact O-CB 3.5Å; N299-S302 PolarHBondContact O-N 2.87Å; N299-S302 PolarHBondContact O-OG 3.07Å; R300-S302 PolarHBondContact O-N 3.3Å; R300-S302 VanDerWaalsContact O-N 3.09Å; S302-Y322 WeakPolarHBondContact O-CA 3.38Å; S302-Y322 WeakPolarHBondContact OG-CE2 3.34Å; S302-R323 PolarHBondContact O-N 2.97Å |
| 303 | V | 91.3 | Very high | 83.6 | Confident | 8 Ų | 8 | 76.5 Ų | 76.5 | 5% | 0.048 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 144.5 | 177.3 | -177.2 | 0 | 0 | 0 | 0 | 109.2 | I298 R300 L305 S321 Y322 V384 W427 V429 | I298-V303 HydrophobicContact CG2-CG2 3.83Å; R300-V303 PolarHBondContact O-N 2.67Å; V303-L305 HydrophobicContact CG1-CD2 4.47Å; V303-S321 CarbonylContact C-O 3.57Å; V303-S321 WeakPolarHBondContact CA-O 3.35Å; V303-Y322 HydrophobicContact CG2-CD2 3.95Å; V303-Y322 HydrophobicContact CG2-CG 4.42Å; V303-V384 HydrophobicContact CG1-CG2 3.96Å; V303-W427 HydrophobicContact CB-CE3 4.42Å; V303-W427 HydrophobicContact CB-CZ3 4.13Å; V303-W427 HydrophobicContact CG1-CE3 4.23Å; V303-W427 HydrophobicContact CG1-CZ3 4.08Å; V303-V429 HydrophobicContact CG2-CG1 4.36Å; V303-V429 HydrophobicContact CG2-CG2 3.97Å |
| 304 | T | 92.4 | Very high | 84.4 | Confident | 58 Ų | 58 | 76.4 Ų | 76.4 | 36% | 0.356 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 126.7 | 175.5 | -58.9 | 0 | 0 | 0 | 0 | 108.5 | G320 S321 | T304-G320 CarbonylContact O-C 3.48Å; T304-G320 WeakPolarHBondContact O-CA 3.34Å; T304-S321 PolarHBondContact N-O 2.92Å; T304-S321 PolarHBondContact O-N 2.8Å |
| 305 | L | 92.3 | Very high | 85.2 | Confident | 58 Ų | 58 | 70.3 Ų | 70.3 | 30% | 0.304 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 139.8 | 176.3 | -51.4 | -175.9 | 0 | 0 | 0 | 109.4 | V303 Y318 V384 W427 | V303-L305 HydrophobicContact CG1-CD2 4.47Å; L305-Y318 HydrophobicContact CB-CD1 4.42Å; L305-Y318 HydrophobicContact CB-CG 4.43Å; L305-Y318 HydrophobicContact CD1-CD1 4.39Å; L305-Y318 HydrophobicContact CD1-CD2 4.04Å; L305-Y318 HydrophobicContact CD1-CE2 4.21Å; L305-Y318 HydrophobicContact CD1-CG 4.14Å; L305-Y318 HydrophobicContact CD2-CG 4.38Å; L305-V384 HydrophobicContact CD2-CB 3.8Å; L305-V384 HydrophobicContact CD2-CG1 3.91Å; L305-V384 HydrophobicContact CD2-CG2 3.82Å; L305-W427 HydrophobicContact CD1-CH2 3.99Å; L305-W427 HydrophobicContact CD1-CZ2 3.75Å; L305-W427 HydrophobicContact CD2-CE3 4.44Å; L305-W427 HydrophobicContact CD2-CH2 4.26Å; L305-W427 HydrophobicContact CD2-CZ3 4.18Å; L305-W427 HydrophobicContact CG-CH2 3.96Å; L305-W427 HydrophobicContact CG-CZ2 4.24Å; L305-W427 HydrophobicContact CG-CZ3 4.35Å |
| 306 | E | 90.2 | Very high | 86.2 | Confident | 89 Ų | 89 | 63.1 Ų | 63.1 | 42% | 0.416 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | -46.2 | -174 | -68.2 | 169.7 | -158 | 0 | 0 | 113.1 | K319 S321 | E306-K319 PolarHBondContact N-O 3.13Å; E306-K319 IonicContact OE2-NZ 3.61Å; E306-K319 PolarHBondContact OE2-NZ 3.02Å; E306-S321 WeakPolarHBondContact OE1-CB 3.31Å; E306-S321 PolarHBondContact OE1-N 3.19Å; E306-S321 PolarHBondContact OE1-OG 3.22Å |
| 307 | Q | 91.8 | Very high | 86.8 | Confident | 116 Ų | 116 | 62.5 Ų | 62.5 | 54% | 0.542 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 139.1 | -170 | -174 | -168.8 | -14 | 0 | 0 | 110.6 | Y318 K319 | Q307-Y318 CarbonylContact O-C 3.56Å; Q307-Y318 VanDerWaalsContact O-CA 3.23Å; Q307-Y318 WeakPolarHBondContact O-CA 3.35Å; Q307-K319 HydrophobicContact CB-CB 4.32Å; Q307-K319 PolarHBondContact N-O 3.16Å; Q307-K319 PolarHBondContact O-N 2.71Å |
| 308 | V | 90.7 | Very high | 87.2 | Confident | 76 Ų | 76 | 60.2 Ų | 60.2 | 46% | 0.461 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 132.1 | 169 | -179.9 | 0 | 0 | 0 | 0 | 109.9 | Y318 | V308-Y318 HydrophobicContact CG2-CD1 3.83Å; V308-Y318 HydrophobicContact CG2-CE1 3.44Å; V308-Y318 VanDerWaalsContact CG2-CE1 3.44Å |
| 309 | L | 89.8 | Confident | 87.5 | Confident | 79 Ų | 79 | 61.8 Ų | 61.8 | 41% | 0.414 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -31.1 | 173.8 | -66.1 | 171.8 | 0 | 0 | 0 | 112.4 | V317 K319 Y432 | L309-V317 HydrophobicContact CB-CB 4.48Å; L309-V317 WeakPolarHBondContact CB-O 3.25Å; L309-V317 HydrophobicContact CD1-CG1 4.32Å; L309-V317 PolarHBondContact N-O 3.22Å; L309-K319 HydrophobicContact CD1-CB 4.04Å; L309-K319 HydrophobicContact CD2-CB 4.11Å; L309-K319 HydrophobicContact CG-CB 4.04Å; L309-Y432 HydrophobicContact CD1-CD2 4.12Å; L309-Y432 HydrophobicContact CD1-CE2 3.78Å; L309-Y432 HydrophobicContact CD2-CE2 4.1Å |
| 310 | G | 85 | Confident | 88 | Confident | 31 Ų | 31 | 57.1 Ų | 57.1 | 32% | 0.32 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.7 | 164.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | V317 | G310-V317 PolarHBondContact N-O 3.13Å; G310-V317 PolarHBondContact O-N 2.81Å |
| 311 | E | 80.1 | Confident | 88.2 | Confident | 147 Ų | 147 | 55.5 Ų | 55.5 | 69% | 0.687 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 123.4 | 175.7 | -145.1 | -165 | 160.5 | 0 | 0 | 110.1 | D316 K388 | E311-D316 WeakPolarHBondContact CG-OD1 3.26Å; E311-K388 IonicContact OE1-NZ 3.13Å; E311-K388 PolarHBondContact OE1-NZ 2.8Å |
| 312 | G | 74 | Confident | 88.5 | Confident | 20 Ų | 20 | 50.6 Ų | 50.6 | 21% | 0.206 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 166.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F314 G315 | G312-F314 PolarHBondContact O-N 2.66Å; G312-G315 CarbonylContact C-O 3.46Å; G312-G315 WeakPolarHBondContact CA-O 3.46Å; G312-G315 PolarHBondContact N-O 3.17Å; G312-G315 PolarHBondContact O-N 3.09Å |
| 313 | Q | 76.3 | Confident | 88.4 | Confident | 125 Ų | 125 | 56.2 Ų | 56.2 | 58% | 0.584 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -33.9 | -177.4 | 177.4 | 176.8 | -21.6 | 0 | 0 | 113.8 | ||
| 314 | F | 77.9 | Confident | 87.4 | Confident | 8 Ų | 8 | 61.6 Ų | 61.6 | 4% | 0.035 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | -2.2 | -174.2 | -54.9 | -73.2 | 0 | 0 | 0 | 113.9 | G312 C387 K388 E395 R398 F399 | G312-F314 PolarHBondContact O-N 2.66Å; F314-C387 CarbonylContact O-C 3.59Å; F314-C387 WeakPolarHBondContact O-CA 3.46Å; F314-K388 WeakPolarHBondContact O-CG 3.48Å; F314-K388 PolarHBondContact O-N 2.69Å; F314-E395 HydrophobicContact CD1-CB 4.03Å; F314-E395 HydrophobicContact CD1-CG 4.2Å; F314-E395 HydrophobicContact CE1-CB 4.3Å; F314-E395 HydrophobicContact CE1-CG 4.24Å; F314-R398 HydrophobicContact CE1-CB 3.97Å; F314-R398 HydrophobicContact CZ-CB 3.84Å; F314-F399 HydrophobicContact CB-CD2 3.6Å; F314-F399 HydrophobicContact CB-CE2 4.02Å; F314-F399 AromaticContact CD2-CD2 3.82Å; F314-F399 HydrophobicContact CD2-CD2 3.82Å; F314-F399 AromaticContact CG-CD2 3.87Å; F314-F399 HydrophobicContact CG-CD2 3.87Å |
| 315 | G | 82.8 | Confident | 86 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 144.3 | 172 | -164.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G312 T386 | G312-G315 CarbonylContact C-O 3.46Å; G312-G315 WeakPolarHBondContact CA-O 3.46Å; G312-G315 PolarHBondContact N-O 3.17Å; G312-G315 PolarHBondContact O-N 3.09Å; G315-T386 CarbonylContact C-O 3.55Å; G315-T386 VanDerWaalsContact CA-O 3.27Å; G315-T386 WeakPolarHBondContact CA-O 3.46Å |
| 316 | D | 91 | Very high | 84.1 | Confident | 46 Ų | 46 | 67.2 Ų | 67.2 | 25% | 0.246 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 153.1 | -171.9 | -65.4 | -18.9 | 0 | 0 | 0 | 112.8 | E311 Y318 T386 | E311-D316 WeakPolarHBondContact CG-OD1 3.26Å; D316-Y318 HydrophobicContact CB-CD2 4.24Å; D316-Y318 HydrophobicContact CB-CE2 3.56Å; D316-Y318 PolarHBondContact OD2-OH 2.64Å; D316-Y318 VanDerWaalsContact OD2-OH 3.09Å; D316-T386 PolarHBondContact N-OG1 3.01Å; D316-T386 PolarHBondContact O-N 2.75Å; D316-T386 PolarHBondContact O-OG1 3.05Å; D316-T386 VanDerWaalsContact O-OG1 3.13Å |
| 317 | V | 93.1 | Very high | 82.2 | Confident | 32 Ų | 32 | 68 Ų | 68 | 19% | 0.194 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 124.1 | 164.9 | -168 | 0 | 0 | 0 | 0 | 108.5 | L309 G310 A383 V384 K385 | L309-V317 HydrophobicContact CB-CB 4.48Å; L309-V317 WeakPolarHBondContact CB-O 3.25Å; L309-V317 HydrophobicContact CD1-CG1 4.32Å; L309-V317 PolarHBondContact N-O 3.22Å; G310-V317 PolarHBondContact N-O 3.13Å; G310-V317 PolarHBondContact O-N 2.81Å; V317-A383 HydrophobicContact CG1-CB 4.43Å; V317-V384 CarbonylContact C-O 3.58Å; V317-V384 WeakPolarHBondContact CA-O 3.42Å; V317-K385 HydrophobicContact CG2-CG 4.26Å |
| 318 | Y | 95.2 | Very high | 80.2 | Confident | 55 Ų | 55 | 64.4 Ų | 64.4 | 22% | 0.216 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 150.1 | 174.7 | -60 | -94.7 | 0 | 0 | 0 | 111.5 | L305 Q307 V308 D316 A383 V384 T386 | L305-Y318 HydrophobicContact CB-CD1 4.42Å; L305-Y318 HydrophobicContact CB-CG 4.43Å; L305-Y318 HydrophobicContact CD1-CD1 4.39Å; L305-Y318 HydrophobicContact CD1-CD2 4.04Å; L305-Y318 HydrophobicContact CD1-CE2 4.21Å; L305-Y318 HydrophobicContact CD1-CG 4.14Å; L305-Y318 HydrophobicContact CD2-CG 4.38Å; Q307-Y318 CarbonylContact O-C 3.56Å; Q307-Y318 VanDerWaalsContact O-CA 3.23Å; Q307-Y318 WeakPolarHBondContact O-CA 3.35Å; V308-Y318 HydrophobicContact CG2-CD1 3.83Å; V308-Y318 HydrophobicContact CG2-CE1 3.44Å; V308-Y318 VanDerWaalsContact CG2-CE1 3.44Å; D316-Y318 HydrophobicContact CB-CD2 4.24Å; D316-Y318 HydrophobicContact CB-CE2 3.56Å; D316-Y318 PolarHBondContact OD2-OH 2.64Å; D316-Y318 VanDerWaalsContact OD2-OH 3.09Å; Y318-A383 CarbonylContact O-C 3.15Å; Y318-A383 VanDerWaalsContact O-CA 3.31Å; Y318-A383 WeakPolarHBondContact O-CA 3.22Å; Y318-V384 PolarHBondContact N-O 2.87Å; Y318-V384 PolarHBondContact O-N 3.41Å; Y318-T386 HydrophobicContact CD2-CG2 3.73Å; Y318-T386 HydrophobicContact CE2-CG2 3.57Å |
| 319 | K | 95.3 | Very high | 78.3 | Confident | 42 Ų | 42 | 64.6 Ų | 64.6 | 18% | 0.183 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 142.4 | 151.7 | 178.6 | -179.4 | 174.5 | -101.5 | 0 | 107.9 | E306 Q307 L309 Y432 | E306-K319 PolarHBondContact N-O 3.13Å; E306-K319 IonicContact OE2-NZ 3.61Å; E306-K319 PolarHBondContact OE2-NZ 3.02Å; Q307-K319 HydrophobicContact CB-CB 4.32Å; Q307-K319 PolarHBondContact N-O 3.16Å; Q307-K319 PolarHBondContact O-N 2.71Å; L309-K319 HydrophobicContact CD1-CB 4.04Å; L309-K319 HydrophobicContact CD2-CB 4.11Å; L309-K319 HydrophobicContact CG-CB 4.04Å; K319-Y432 HydrophobicContact CB-CE2 4.37Å; K319-Y432 HydrophobicContact CD-CE1 4.35Å; K319-Y432 HydrophobicContact CD-CE2 4.39Å; K319-Y432 HydrophobicContact CG-CE2 4.23Å |
| 320 | G | 94.2 | Very high | 76.5 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | -174.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | T304 L381 V382 | T304-G320 CarbonylContact O-C 3.48Å; T304-G320 WeakPolarHBondContact O-CA 3.34Å; G320-L381 WeakPolarHBondContact O-CA 3.4Å; G320-V382 PolarHBondContact N-O 3.16Å; G320-V382 WeakPolarHBondContact O-CG2 3.47Å; G320-V382 PolarHBondContact O-N 2.85Å |
| 321 | S | 93.1 | Very high | 75.2 | Confident | 17 Ų | 17 | 71.4 Ų | 71.4 | 12% | 0.119 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 136.6 | 180 | 28.6 | 0 | 0 | 0 | 0 | 111.3 | V303 T304 E306 P379 L380 | V303-S321 CarbonylContact C-O 3.57Å; V303-S321 WeakPolarHBondContact CA-O 3.35Å; T304-S321 PolarHBondContact N-O 2.92Å; T304-S321 PolarHBondContact O-N 2.8Å; E306-S321 WeakPolarHBondContact OE1-CB 3.31Å; E306-S321 PolarHBondContact OE1-N 3.19Å; E306-S321 PolarHBondContact OE1-OG 3.22Å; S321-P379 VanDerWaalsContact CB-CB 3.49Å; S321-L380 CarbonylContact C-O 3.46Å; S321-L380 WeakPolarHBondContact CA-O 3.48Å |
| 322 | Y | 92.8 | Very high | 74.2 | Confident | 29 Ų | 29 | 65 Ų | 65 | 11% | 0.114 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 114 | -177.3 | 172.9 | -147.1 | 0 | 0 | 0 | 111.9 | I298 S302 V303 R324 L380 V382 F418 V429 | I298-Y322 HydrophobicContact CD1-CE1 3.8Å; I298-Y322 HydrophobicContact CD1-CE2 4.22Å; I298-Y322 HydrophobicContact CG2-CD2 4.47Å; I298-Y322 HydrophobicContact CG2-CE2 3.87Å; S302-Y322 WeakPolarHBondContact O-CA 3.38Å; S302-Y322 WeakPolarHBondContact OG-CE2 3.34Å; V303-Y322 HydrophobicContact CG2-CD2 3.95Å; V303-Y322 HydrophobicContact CG2-CG 4.42Å; Y322-R324 VanDerWaalsContact C-N 3.31Å; Y322-R324 HydrophobicContact CD1-CB 4.18Å; Y322-R324 HydrophobicContact CE1-CB 3.81Å; Y322-R324 HydrophobicContact CE1-CG 4.14Å; Y322-R324 HydrophobicContact CE2-CB 4.24Å; Y322-R324 PolarHBondContact O-N 3.06Å; Y322-L380 PolarHBondContact N-O 2.99Å; Y322-L380 PolarHBondContact O-N 3.26Å; Y322-V382 HydrophobicContact CD1-CG1 4.29Å; Y322-V382 HydrophobicContact CG-CG1 4.45Å; Y322-F418 HydrophobicContact CD1-CB 4.46Å; Y322-F418 HydrophobicContact CE1-CB 4.2Å; Y322-V429 HydrophobicContact CD1-CG1 4.3Å; Y322-V429 HydrophobicContact CG-CG1 4.47Å |
| 323 | R | 86.1 | Confident | 73.6 | Confident | 143 Ų | 143 | 69.4 Ų | 69.4 | 54% | 0.54 | 32% | 0.324 | S | S | . | . | trans | -81.1 | 74.4 | 170.9 | -81.9 | -178.9 | -74.9 | -97.4 | -9.2 | 111 | S302 K325 P379 | S302-R323 PolarHBondContact O-N 2.97Å; R323-K325 PolarHBondContact O-N 3.47Å; R323-P379 HydrophobicContact CG-CB 4.49Å; R323-P379 HydrophobicContact CG-CG 4.37Å | ||
| 324 | R | 71.4 | Confident | 72.9 | Confident | 122 Ų | 122 | 73 Ų | 73 | 46% | 0.46 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 123.7 | 174.4 | -178.7 | 175 | 173.1 | -177.2 | -3.1 | 111.3 | Y322 H327 | Y322-R324 VanDerWaalsContact C-N 3.31Å; Y322-R324 HydrophobicContact CD1-CB 4.18Å; Y322-R324 HydrophobicContact CE1-CB 3.81Å; Y322-R324 HydrophobicContact CE1-CG 4.14Å; Y322-R324 HydrophobicContact CE2-CB 4.24Å; Y322-R324 PolarHBondContact O-N 3.06Å; R324-H327 PolarHBondContact NE-NE2 3.11Å; R324-H327 PolarHBondContact NH2-CD2 3.41Å; R324-H327 PolarHBondContact NH2-NE2 3.17Å |
| 325 | K | 62.5 | Low | 72.3 | Confident | 183 Ų | 183 | 78.1 Ų | 78.1 | 80% | 0.796 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 129.2 | 175.5 | -70.5 | -177.3 | 178.6 | 177.2 | 0 | 110.3 | R323 H327 | R323-K325 PolarHBondContact O-N 3.47Å; K325-H327 PolarHBondContact O-N 3.03Å |
| 326 | P | 53.5 | Low | 71.6 | Confident | 50 Ų | 50 | 79.5 Ų | 79.5 | 33% | 0.325 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 127.2 | -167.2 | 24.4 | -33.5 | 0 | 0 | 0 | 112.1 | V328 L329 F377 | P326-V328 HydrophobicContact CB-CG2 4.48Å; P326-V328 PolarHBondContact O-N 3.25Å; P326-V328 VanDerWaalsContact O-N 3.09Å; P326-L329 HydrophobicContact CG-CD1 4.18Å; P326-L329 PolarHBondContact O-N 3.18Å; P326-F377 HydrophobicContact CB-CD2 4.41Å; P326-F377 HydrophobicContact CB-CE2 4.17Å |
| 327 | H | 49.7 | Very low | 70.5 | Confident | 105 Ų | 105 | 85.3 Ų | 85.3 | 49% | 0.486 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60 | -20.7 | 175.9 | -83.9 | -111.6 | 0 | 0 | 0 | 113 | R324 K325 L329 K330 I331 | R324-H327 PolarHBondContact NE-NE2 3.11Å; R324-H327 PolarHBondContact NH2-CD2 3.41Å; R324-H327 PolarHBondContact NH2-NE2 3.17Å; K325-H327 PolarHBondContact O-N 3.03Å; H327-L329 PolarHBondContact O-N 2.87Å; H327-K330 PolarHBondContact O-N 3.19Å; H327-K330 VanDerWaalsContact O-N 3.09Å; H327-I331 HydrophobicContact CB-CD1 4.44Å; H327-I331 WeakPolarHBondContact O-CG1 3.46Å; H327-I331 PolarHBondContact O-N 2.91Å |
| 328 | V | 50.1 | Low | 69.3 | Low | 41 Ų | 41 | 87.8 Ų | 87.8 | 25% | 0.248 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -52.3 | -40.2 | 175.5 | -170.9 | 0 | 0 | 0 | 0 | 111.8 | P326 I331 G332 I373 F377 | P326-V328 HydrophobicContact CB-CG2 4.48Å; P326-V328 PolarHBondContact O-N 3.25Å; P326-V328 VanDerWaalsContact O-N 3.09Å; V328-I331 PolarHBondContact O-N 3.36Å; V328-G332 PolarHBondContact O-N 3.48Å; V328-I373 HydrophobicContact CG1-CB 4.43Å; V328-I373 HydrophobicContact CG1-CG2 3.97Å; V328-F377 HydrophobicContact CG2-CE2 4.47Å |
| 329 | L | 50.7 | Low | 68.2 | Low | 81 Ų | 81 | 89.7 Ų | 89.7 | 42% | 0.424 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.1 | -48.4 | 176 | -82.1 | 164.5 | 0 | 0 | 0 | 112 | P326 H327 I331 G332 Q333 C370 | P326-L329 HydrophobicContact CG-CD1 4.18Å; P326-L329 PolarHBondContact O-N 3.18Å; H327-L329 PolarHBondContact O-N 2.87Å; L329-I331 VanDerWaalsContact C-N 3.31Å; L329-I331 PolarHBondContact O-N 2.64Å; L329-G332 PolarHBondContact O-N 3.47Å; L329-Q333 WeakPolarHBondContact O-CB 3.5Å; L329-Q333 WeakPolarHBondContact O-CG 3.31Å; L329-Q333 PolarHBondContact O-N 2.83Å; L329-C370 HydrophobicContact CD2-CB 3.77Å |
| 330 | K | 52.1 | Low | 67.1 | Low | 156 Ų | 156 | 90 Ų | 90 | 68% | 0.678 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -66.8 | -31.8 | 177.8 | -77 | -173.1 | 175.1 | -180 | 0 | 112.5 | H327 R334 | H327-K330 PolarHBondContact O-N 3.19Å; H327-K330 VanDerWaalsContact O-N 3.09Å; K330-R334 WeakPolarHBondContact O-CB 3.39Å; K330-R334 PolarHBondContact O-N 3.2Å; K330-R334 VanDerWaalsContact O-N 3.12Å |
| 331 | I | 56.6 | Low | 66 | Low | 97 Ų | 97 | 97.2 Ų | 97.2 | 50% | 0.497 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -70.7 | -48.8 | 175 | -69.3 | 167.6 | 0 | 0 | 0 | 110.2 | H327 V328 L329 Q333 R334 L335 | H327-I331 HydrophobicContact CB-CD1 4.44Å; H327-I331 WeakPolarHBondContact O-CG1 3.46Å; H327-I331 PolarHBondContact O-N 2.91Å; V328-I331 PolarHBondContact O-N 3.36Å; L329-I331 VanDerWaalsContact C-N 3.31Å; L329-I331 PolarHBondContact O-N 2.64Å; I331-Q333 PolarHBondContact O-N 2.89Å; I331-R334 PolarHBondContact O-N 3Å; I331-L335 HydrophobicContact CG2-CD1 3.9Å; I331-L335 HydrophobicContact CG2-CG 4.4Å; I331-L335 WeakPolarHBondContact O-CG 3.42Å; I331-L335 PolarHBondContact O-N 2.9Å |
| 332 | G | 60.4 | Low | 65.1 | Low | 13 Ų | 13 | 104 Ų | 104 | 13% | 0.134 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -59 | -45.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V328 L329 R334 L335 L336 | V328-G332 PolarHBondContact O-N 3.48Å; L329-G332 PolarHBondContact O-N 3.47Å; G332-R334 VanDerWaalsContact C-N 3.35Å; G332-R334 PolarHBondContact O-N 3.32Å; G332-L335 PolarHBondContact O-N 2.8Å; G332-L336 WeakPolarHBondContact O-CB 3.45Å; G332-L336 PolarHBondContact O-N 3.48Å |
| 333 | Q | 60.6 | Low | 64.2 | Low | 111 Ų | 111 | 106.9 Ų | 106.9 | 52% | 0.519 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.5 | -38.2 | 175 | -74.7 | -179.2 | -12.9 | 0 | 0 | 112.8 | L329 I331 K337 H366 | L329-Q333 WeakPolarHBondContact O-CB 3.5Å; L329-Q333 WeakPolarHBondContact O-CG 3.31Å; L329-Q333 PolarHBondContact O-N 2.83Å; I331-Q333 PolarHBondContact O-N 2.89Å; Q333-K337 WeakPolarHBondContact O-CB 3.43Å; Q333-K337 PolarHBondContact O-N 3.35Å; Q333-H366 WeakPolarHBondContact CG-NE2 3.14Å |
| 334 | R | 62.2 | Low | 63.6 | Low | 201 Ų | 201 | 102.2 Ų | 102.2 | 76% | 0.758 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65 | -46.6 | 173 | -96.5 | -177 | 157.5 | 175.3 | -6.3 | 111.6 | K330 I331 G332 K337 C338 | K330-R334 WeakPolarHBondContact O-CB 3.39Å; K330-R334 PolarHBondContact O-N 3.2Å; K330-R334 VanDerWaalsContact O-N 3.12Å; I331-R334 PolarHBondContact O-N 3Å; G332-R334 VanDerWaalsContact C-N 3.35Å; G332-R334 PolarHBondContact O-N 3.32Å; R334-K337 PolarHBondContact O-N 2.94Å; R334-C338 WeakPolarHBondContact O-CB 3.33Å; R334-C338 PolarHBondContact O-N 3.47Å; R334-C338 PolarHBondContact O-SG 2.86Å |
| 335 | L | 65.2 | Low | 63.4 | Low | 116 Ų | 116 | 102.6 Ų | 102.6 | 61% | 0.607 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.7 | -43.5 | 177.8 | -71.2 | 171.1 | 0 | 0 | 0 | 111.4 | I331 G332 C338 F339 | I331-L335 HydrophobicContact CG2-CD1 3.9Å; I331-L335 HydrophobicContact CG2-CG 4.4Å; I331-L335 WeakPolarHBondContact O-CG 3.42Å; I331-L335 PolarHBondContact O-N 2.9Å; G332-L335 PolarHBondContact O-N 2.8Å; L335-C338 PolarHBondContact O-N 3.05Å; L335-F339 WeakPolarHBondContact O-CB 3.42Å; L335-F339 PolarHBondContact O-N 3.24Å |
| 336 | L | 68.3 | Low | 63.7 | Low | 30 Ų | 30 | 99.5 Ų | 99.5 | 16% | 0.157 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 175.8 | -177.7 | 65 | 0 | 0 | 0 | 111.8 | G332 C338 F339 I340 L362 T363 H366 | G332-L336 WeakPolarHBondContact O-CB 3.45Å; G332-L336 PolarHBondContact O-N 3.48Å; L336-C338 PolarHBondContact O-N 2.67Å; L336-F339 PolarHBondContact O-N 2.69Å; L336-I340 HydrophobicContact CD1-CD1 4.07Å; L336-I340 HydrophobicContact CD1-CG1 4.29Å; L336-I340 HydrophobicContact CG-CD1 3.92Å; L336-I340 WeakPolarHBondContact O-CG1 3.35Å; L336-I340 PolarHBondContact O-N 3.39Å; L336-L362 HydrophobicContact CD1-CB 3.99Å; L336-T363 HydrophobicContact CD2-CG2 4.02Å; L336-H366 HydrophobicContact CD2-CB 3.9Å; L336-H366 VanDerWaalsContact CD2-CD2 3.45Å; L336-H366 WeakPolarHBondContact CD2-CD2 3.36Å |
| 337 | K | 66.5 | Low | 64.4 | Low | 167 Ų | 167 | 97.7 Ų | 97.7 | 73% | 0.726 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.3 | -44 | 174 | -84.4 | -165.8 | 171.9 | -171 | 0 | 112 | Q333 R334 F339 H341 | Q333-K337 WeakPolarHBondContact O-CB 3.43Å; Q333-K337 PolarHBondContact O-N 3.35Å; R334-K337 PolarHBondContact O-N 2.94Å; K337-F339 VanDerWaalsContact C-N 3.33Å; K337-F339 PolarHBondContact O-N 3.39Å; K337-H341 WeakPolarHBondContact O-CB 3.45Å; K337-H341 PolarHBondContact O-N 3.27Å |
| 338 | C | 67.8 | Low | 65.4 | Low | 84 Ų | 84 | 96.8 Ų | 96.8 | 57% | 0.568 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.2 | -36.4 | 176 | -69.7 | 0 | 0 | 0 | 0 | 112.4 | R334 L335 L336 K342 | R334-C338 WeakPolarHBondContact O-CB 3.33Å; R334-C338 PolarHBondContact O-N 3.47Å; R334-C338 PolarHBondContact O-SG 2.86Å; L335-C338 PolarHBondContact O-N 3.05Å; L336-C338 PolarHBondContact O-N 2.67Å; C338-K342 VanDerWaalsContact O-CB 3.24Å; C338-K342 WeakPolarHBondContact O-CB 3.48Å; C338-K342 PolarHBondContact O-N 2.97Å |
| 339 | F | 73.5 | Confident | 66.5 | Low | 96 Ų | 96 | 101.9 Ų | 101.9 | 42% | 0.421 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.3 | -52.4 | 177 | -167.2 | -81.7 | 0 | 0 | 0 | 111.3 | L335 L336 K337 H341 K342 Y343 L362 | L335-F339 WeakPolarHBondContact O-CB 3.42Å; L335-F339 PolarHBondContact O-N 3.24Å; L336-F339 PolarHBondContact O-N 2.69Å; K337-F339 VanDerWaalsContact C-N 3.33Å; K337-F339 PolarHBondContact O-N 3.39Å; F339-H341 VanDerWaalsContact C-N 3.3Å; F339-H341 PolarHBondContact O-N 3.34Å; F339-K342 PolarHBondContact O-N 3.01Å; F339-Y343 AromaticContact CD1-CD2 3.72Å; F339-Y343 HydrophobicContact CD1-CD2 3.72Å; F339-Y343 HydrophobicContact CD1-CE2 4.15Å; F339-Y343 HydrophobicContact CD2-CD2 4.31Å; F339-Y343 AromaticContact CD2-CE2 3.97Å; F339-Y343 HydrophobicContact CD2-CE2 3.97Å; F339-Y343 AromaticContact CE1-CD2 3.52Å; F339-Y343 HydrophobicContact CE1-CD2 3.52Å; F339-Y343 AromaticContact CE1-CE2 3.76Å; F339-Y343 HydrophobicContact CE1-CE2 3.76Å; F339-Y343 HydrophobicContact CE2-CD2 4.16Å; F339-Y343 AromaticContact CE2-CE2 3.58Å; F339-Y343 HydrophobicContact CE2-CE2 3.58Å; F339-Y343 HydrophobicContact CG-CD2 4.11Å; F339-Y343 HydrophobicContact CG-CE2 4.24Å; F339-Y343 AromaticContact CZ-CD2 3.76Å; F339-Y343 HydrophobicContact CZ-CD2 3.76Å; F339-Y343 AromaticContact CZ-CE2 3.46Å; F339-Y343 HydrophobicContact CZ-CE2 3.46Å; F339-Y343 VanDerWaalsContact CZ-CE2 3.46Å; F339-Y343 VanDerWaalsContact O-CD2 3.32Å; F339-Y343 WeakPolarHBondContact O-CD2 3.47Å; F339-Y343 PolarHBondContact O-N 3.42Å; F339-L362 HydrophobicContact CD1-CD1 4.03Å; F339-L362 HydrophobicContact CE1-CD1 3.86Å; F339-L362 HydrophobicContact CE1-CD2 4.19Å |
| 340 | I | 71 | Confident | 67.9 | Low | 49 Ų | 49 | 101.2 Ų | 101.2 | 25% | 0.251 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -56.1 | -47 | 175.9 | -66.7 | 168.6 | 0 | 0 | 0 | 110 | L336 K342 Y343 T344 | L336-I340 HydrophobicContact CD1-CD1 4.07Å; L336-I340 HydrophobicContact CD1-CG1 4.29Å; L336-I340 HydrophobicContact CG-CD1 3.92Å; L336-I340 WeakPolarHBondContact O-CG1 3.35Å; L336-I340 PolarHBondContact O-N 3.39Å; I340-K342 PolarHBondContact O-N 2.84Å; I340-Y343 CarbonylContact O-C 3.39Å; I340-Y343 PolarHBondContact O-N 2.87Å; I340-T344 PolarHBondContact O-N 2.81Å; I340-T344 PolarHBondContact O-OG1 2.7Å |
| 341 | H | 71.7 | Confident | 69.2 | Low | 150 Ų | 150 | 98.3 Ų | 98.3 | 69% | 0.694 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.8 | -45.9 | 178.9 | -172.2 | 59.3 | 0 | 0 | 0 | 112.4 | K337 F339 Y343 T344 | K337-H341 WeakPolarHBondContact O-CB 3.45Å; K337-H341 PolarHBondContact O-N 3.27Å; F339-H341 VanDerWaalsContact C-N 3.3Å; F339-H341 PolarHBondContact O-N 3.34Å; H341-Y343 VanDerWaalsContact C-N 3.27Å; H341-Y343 PolarHBondContact O-N 3.25Å; H341-T344 WeakPolarHBondContact CA-OG1 3.3Å; H341-T344 WeakPolarHBondContact O-CB 3.48Å; H341-T344 PolarHBondContact O-N 2.98Å; H341-T344 PolarHBondContact O-OG1 3.02Å |
| 342 | K | 74.6 | Confident | 70.1 | Confident | 160 Ų | 160 | 101 Ų | 101 | 70% | 0.696 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.7 | -34.2 | 178.3 | -174.2 | 178.4 | -179.1 | -175 | 0 | 112.8 | C338 F339 I340 | C338-K342 VanDerWaalsContact O-CB 3.24Å; C338-K342 WeakPolarHBondContact O-CB 3.48Å; C338-K342 PolarHBondContact O-N 2.97Å; F339-K342 PolarHBondContact O-N 3.01Å; I340-K342 PolarHBondContact O-N 2.84Å |
| 343 | Y | 73.4 | Confident | 70.9 | Confident | 90 Ų | 90 | 109 Ų | 109 | 35% | 0.353 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 8.3 | -179.6 | -68.6 | -71.1 | 0 | 0 | 0 | 114.5 | F339 I340 H341 N345 L346 L347 | F339-Y343 AromaticContact CD1-CD2 3.72Å; F339-Y343 HydrophobicContact CD1-CD2 3.72Å; F339-Y343 HydrophobicContact CD1-CE2 4.15Å; F339-Y343 HydrophobicContact CD2-CD2 4.31Å; F339-Y343 AromaticContact CD2-CE2 3.97Å; F339-Y343 HydrophobicContact CD2-CE2 3.97Å; F339-Y343 AromaticContact CE1-CD2 3.52Å; F339-Y343 HydrophobicContact CE1-CD2 3.52Å; F339-Y343 AromaticContact CE1-CE2 3.76Å; F339-Y343 HydrophobicContact CE1-CE2 3.76Å; F339-Y343 HydrophobicContact CE2-CD2 4.16Å; F339-Y343 AromaticContact CE2-CE2 3.58Å; F339-Y343 HydrophobicContact CE2-CE2 3.58Å; F339-Y343 HydrophobicContact CG-CD2 4.11Å; F339-Y343 HydrophobicContact CG-CE2 4.24Å; F339-Y343 AromaticContact CZ-CD2 3.76Å; F339-Y343 HydrophobicContact CZ-CD2 3.76Å; F339-Y343 AromaticContact CZ-CE2 3.46Å; F339-Y343 HydrophobicContact CZ-CE2 3.46Å; F339-Y343 VanDerWaalsContact CZ-CE2 3.46Å; F339-Y343 VanDerWaalsContact O-CD2 3.32Å; F339-Y343 WeakPolarHBondContact O-CD2 3.47Å; F339-Y343 PolarHBondContact O-N 3.42Å; I340-Y343 CarbonylContact O-C 3.39Å; I340-Y343 PolarHBondContact O-N 2.87Å; H341-Y343 VanDerWaalsContact C-N 3.27Å; H341-Y343 PolarHBondContact O-N 3.25Å; Y343-N345 VanDerWaalsContact C-N 3.3Å; Y343-N345 PolarHBondContact O-N 2.85Å; Y343-L346 HydrophobicContact CD1-CB 4.45Å; Y343-L346 HydrophobicContact CD1-CD2 4.05Å; Y343-L346 PolarHBondContact O-N 2.94Å; Y343-L347 WeakPolarHBondContact O-CB 3.2Å; Y343-L347 WeakPolarHBondContact O-CG 3.23Å; Y343-L347 PolarHBondContact O-N 3.14Å |
| 344 | T | 74.6 | Confident | 71.7 | Confident | 44 Ų | 44 | 105.6 Ų | 105.6 | 27% | 0.27 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -49.9 | -47.3 | -178 | -49.4 | 0 | 0 | 0 | 0 | 112.6 | I340 H341 L346 L347 N348 | I340-T344 PolarHBondContact O-N 2.81Å; I340-T344 PolarHBondContact O-OG1 2.7Å; H341-T344 WeakPolarHBondContact CA-OG1 3.3Å; H341-T344 WeakPolarHBondContact O-CB 3.48Å; H341-T344 PolarHBondContact O-N 2.98Å; H341-T344 PolarHBondContact O-OG1 3.02Å; T344-L346 VanDerWaalsContact C-N 3.34Å; T344-L346 PolarHBondContact O-N 3.21Å; T344-L347 PolarHBondContact O-N 3.31Å; T344-N348 WeakPolarHBondContact O-CB 3.38Å; T344-N348 PolarHBondContact O-N 3.43Å; T344-N348 PolarHBondContact O-OD1 2.87Å |
| 345 | N | 67.1 | Low | 72.4 | Confident | 131 Ų | 131 | 100.1 Ų | 100.1 | 70% | 0.701 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.8 | -33.5 | -178.6 | -66.3 | 1.9 | 0 | 0 | 0 | 112.7 | Y343 | Y343-N345 VanDerWaalsContact C-N 3.3Å; Y343-N345 PolarHBondContact O-N 2.85Å |
| 346 | L | 68.4 | Low | 73 | Confident | 117 Ų | 117 | 98.4 Ų | 98.4 | 61% | 0.613 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -73 | -40.2 | 176.4 | -160.8 | 75.8 | 0 | 0 | 0 | 110.8 | Y343 T344 N348 N349 I350 | Y343-L346 HydrophobicContact CD1-CB 4.45Å; Y343-L346 HydrophobicContact CD1-CD2 4.05Å; Y343-L346 PolarHBondContact O-N 2.94Å; T344-L346 VanDerWaalsContact C-N 3.34Å; T344-L346 PolarHBondContact O-N 3.21Å; L346-N348 VanDerWaalsContact C-N 3.3Å; L346-N348 PolarHBondContact O-N 3.41Å; L346-N349 PolarHBondContact O-N 3.44Å; L346-I350 VanDerWaalsContact O-CG1 3.27Å; L346-I350 WeakPolarHBondContact O-CG1 3.37Å |
| 347 | L | 67.2 | Low | 73.6 | Confident | 12 Ų | 12 | 101.5 Ų | 101.5 | 6% | 0.063 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -64.3 | -31.3 | 175 | -75.6 | 167.6 | 0 | 0 | 0 | 112.4 | Y343 T344 N349 I350 R355 I358 | Y343-L347 WeakPolarHBondContact O-CB 3.2Å; Y343-L347 WeakPolarHBondContact O-CG 3.23Å; Y343-L347 PolarHBondContact O-N 3.14Å; T344-L347 PolarHBondContact O-N 3.31Å; L347-N349 VanDerWaalsContact C-N 3.33Å; L347-I350 HydrophobicContact CD2-CD1 4.25Å; L347-R355 HydrophobicContact CB-CG 3.88Å; L347-R355 HydrophobicContact CD2-CG 4.03Å; L347-R355 WeakPolarHBondContact O-CD 3.28Å; L347-R355 VanDerWaalsContact O-CG 3.23Å; L347-R355 WeakPolarHBondContact O-CG 3.5Å; L347-I358 HydrophobicContact CD2-CB 4.28Å; L347-I358 HydrophobicContact CD2-CD1 4.49Å; L347-I358 HydrophobicContact CD2-CG2 3.88Å |
| 348 | N | 70.7 | Confident | 74.2 | Confident | 86 Ų | 86 | 96.8 Ų | 96.8 | 46% | 0.46 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -74.2 | -19.5 | 177.8 | -70.4 | -7.1 | 0 | 0 | 0 | 113.9 | T344 L346 I350 R355 | T344-N348 WeakPolarHBondContact O-CB 3.38Å; T344-N348 PolarHBondContact O-N 3.43Å; T344-N348 PolarHBondContact O-OD1 2.87Å; L346-N348 VanDerWaalsContact C-N 3.3Å; L346-N348 PolarHBondContact O-N 3.41Å; N348-I350 VanDerWaalsContact C-N 3.33Å; N348-R355 PolarHBondContact OD1-NH1 2.99Å |
| 349 | N | 74.3 | Confident | 74.7 | Confident | 148 Ų | 148 | 95.2 Ų | 95.2 | 79% | 0.791 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 9 | 179.6 | -73.4 | 1.3 | 0 | 0 | 0 | 113.5 | L346 L347 | L346-N349 PolarHBondContact O-N 3.44Å; L347-N349 VanDerWaalsContact C-N 3.33Å |
| 350 | I | 80.3 | Confident | 74.9 | Confident | 68 Ų | 68 | 97.3 Ų | 97.3 | 35% | 0.349 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -115.4 | 153.7 | 177.6 | -12.4 | 170.3 | 0 | 0 | 0 | 109.5 | L346 L347 N348 I358 | L346-I350 VanDerWaalsContact O-CG1 3.27Å; L346-I350 WeakPolarHBondContact O-CG1 3.37Å; L347-I350 HydrophobicContact CD2-CD1 4.25Å; N348-I350 VanDerWaalsContact C-N 3.33Å; I350-I358 HydrophobicContact CD1-CD1 3.62Å |
| 351 | T | 78.5 | Confident | 75.3 | Confident | 95 Ų | 95 | 98.3 Ų | 98.3 | 58% | 0.583 | 49% | 0.491 | S | S | * | . | trans | -55.5 | 145.6 | 175.4 | 67.6 | 0 | 0 | 0 | 0 | 111.4 | Y353 S354 R355 | T351-Y353 PolarHBondContact O-N 2.9Å; T351-Y353 VanDerWaalsContact O-N 3.15Å; T351-S354 WeakPolarHBondContact O-CA 3.42Å; T351-S354 WeakPolarHBondContact O-CB 3.44Å; T351-S354 PolarHBondContact O-N 3.02Å; T351-S354 PolarHBondContact OG1-OG 3.3Å; T351-R355 PolarHBondContact O-N 3.09Å | ||
| 352 | E | 75.3 | Confident | 75.6 | Confident | 152 Ų | 152 | 93.3 Ų | 93.3 | 71% | 0.71 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -58.1 | -34.6 | -173.1 | -172.9 | 176.8 | -132.5 | 0 | 0 | 112.7 | R355 T356 | E352-R355 PolarHBondContact O-N 3.23Å; E352-T356 WeakPolarHBondContact O-CB 3.33Å; E352-T356 PolarHBondContact O-N 3.14Å; E352-T356 PolarHBondContact O-OG1 3.12Å |
| 353 | Y | 77 | Confident | 75.6 | Confident | 181 Ų | 181 | 88.5 Ų | 88.5 | 71% | 0.71 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -59.3 | -51.1 | 172.6 | -169 | -90.9 | 0 | 0 | 0 | 111.6 | T351 R355 T356 L357 | T351-Y353 PolarHBondContact O-N 2.9Å; T351-Y353 VanDerWaalsContact O-N 3.15Å; Y353-R355 VanDerWaalsContact C-N 3.35Å; Y353-R355 PolarHBondContact O-N 3.13Å; Y353-T356 PolarHBondContact O-N 3.38Å; Y353-L357 HydrophobicContact CE1-CD1 4.34Å; Y353-L357 WeakPolarHBondContact O-CB 3.49Å; Y353-L357 PolarHBondContact O-N 3.26Å |
| 354 | S | 77.7 | Confident | 75.7 | Confident | 41 Ų | 41 | 90.7 Ų | 90.7 | 29% | 0.287 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 175.3 | -53.7 | 0 | 0 | 0 | 0 | 112.2 | T351 T356 L357 I358 | T351-S354 WeakPolarHBondContact O-CA 3.42Å; T351-S354 WeakPolarHBondContact O-CB 3.44Å; T351-S354 PolarHBondContact O-N 3.02Å; T351-S354 PolarHBondContact OG1-OG 3.3Å; S354-T356 VanDerWaalsContact C-N 3.34Å; S354-T356 PolarHBondContact O-N 3.25Å; S354-L357 PolarHBondContact O-N 3.42Å; S354-I358 WeakPolarHBondContact O-CD1 3.44Å; S354-I358 VanDerWaalsContact O-CG1 3.3Å; S354-I358 WeakPolarHBondContact O-CG1 3.26Å; S354-I358 PolarHBondContact O-N 3.1Å |
| 355 | R | 76.9 | Confident | 75.8 | Confident | 85 Ų | 85 | 95.4 Ų | 95.4 | 32% | 0.321 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 177.9 | -160 | 179.2 | 90.8 | 134.2 | 2.1 | 111.4 | L347 N348 T351 E352 Y353 I359 | L347-R355 HydrophobicContact CB-CG 3.88Å; L347-R355 HydrophobicContact CD2-CG 4.03Å; L347-R355 WeakPolarHBondContact O-CD 3.28Å; L347-R355 VanDerWaalsContact O-CG 3.23Å; L347-R355 WeakPolarHBondContact O-CG 3.5Å; N348-R355 PolarHBondContact OD1-NH1 2.99Å; T351-R355 PolarHBondContact O-N 3.09Å; E352-R355 PolarHBondContact O-N 3.23Å; Y353-R355 VanDerWaalsContact C-N 3.35Å; Y353-R355 PolarHBondContact O-N 3.13Å; R355-I359 HydrophobicContact CG-CD1 4.24Å; R355-I359 VanDerWaalsContact O-CG1 3.3Å; R355-I359 WeakPolarHBondContact O-CG1 3.45Å; R355-I359 PolarHBondContact O-N 2.89Å |
| 356 | T | 78.6 | Confident | 75.9 | Confident | 80 Ų | 80 | 90.6 Ų | 90.6 | 49% | 0.491 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65 | -44.7 | 177 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | E352 Y353 S354 I358 I359 F360 | E352-T356 WeakPolarHBondContact O-CB 3.33Å; E352-T356 PolarHBondContact O-N 3.14Å; E352-T356 PolarHBondContact O-OG1 3.12Å; Y353-T356 PolarHBondContact O-N 3.38Å; S354-T356 VanDerWaalsContact C-N 3.34Å; S354-T356 PolarHBondContact O-N 3.25Å; T356-I358 PolarHBondContact O-N 2.82Å; T356-I359 PolarHBondContact O-N 3.43Å; T356-F360 WeakPolarHBondContact O-CB 3.4Å; T356-F360 PolarHBondContact O-N 3.45Å |
| 357 | L | 80.2 | Confident | 75.9 | Confident | 96 Ų | 96 | 91.5 Ų | 91.5 | 50% | 0.503 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 178.8 | -149.1 | 80.4 | 0 | 0 | 0 | 112.3 | Y353 S354 S361 | Y353-L357 HydrophobicContact CE1-CD1 4.34Å; Y353-L357 WeakPolarHBondContact O-CB 3.49Å; Y353-L357 PolarHBondContact O-N 3.26Å; S354-L357 PolarHBondContact O-N 3.42Å; L357-S361 VanDerWaalsContact O-CB 3.32Å; L357-S361 WeakPolarHBondContact O-CB 3.17Å; L357-S361 PolarHBondContact O-N 2.97Å; L357-S361 PolarHBondContact O-OG 3.02Å |
| 358 | I | 79.5 | Confident | 76 | Confident | 67 Ų | 67 | 94.9 Ų | 94.9 | 34% | 0.344 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.1 | -45.5 | 177 | -68.7 | 163.3 | 0 | 0 | 0 | 110.9 | L347 I350 S354 T356 F360 S361 L362 | L347-I358 HydrophobicContact CD2-CB 4.28Å; L347-I358 HydrophobicContact CD2-CD1 4.49Å; L347-I358 HydrophobicContact CD2-CG2 3.88Å; I350-I358 HydrophobicContact CD1-CD1 3.62Å; S354-I358 WeakPolarHBondContact O-CD1 3.44Å; S354-I358 VanDerWaalsContact O-CG1 3.3Å; S354-I358 WeakPolarHBondContact O-CG1 3.26Å; S354-I358 PolarHBondContact O-N 3.1Å; T356-I358 PolarHBondContact O-N 2.82Å; I358-F360 VanDerWaalsContact C-N 3.33Å; I358-F360 PolarHBondContact O-N 3.44Å; I358-S361 PolarHBondContact O-N 3.19Å; I358-L362 HydrophobicContact CG2-CD1 3.85Å; I358-L362 HydrophobicContact CG2-CG 4.45Å; I358-L362 WeakPolarHBondContact O-CB 3.11Å; I358-L362 VanDerWaalsContact O-CG 3.29Å; I358-L362 WeakPolarHBondContact O-CG 3.44Å; I358-L362 PolarHBondContact O-N 3.12Å |
| 359 | I | 78.6 | Confident | 75.9 | Confident | 51 Ų | 51 | 95.6 Ų | 95.6 | 26% | 0.262 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 176.5 | -69.8 | 167.3 | 0 | 0 | 0 | 110.4 | R355 T356 L362 T363 | R355-I359 HydrophobicContact CG-CD1 4.24Å; R355-I359 VanDerWaalsContact O-CG1 3.3Å; R355-I359 WeakPolarHBondContact O-CG1 3.45Å; R355-I359 PolarHBondContact O-N 2.89Å; T356-I359 PolarHBondContact O-N 3.43Å; I359-L362 PolarHBondContact O-N 3.39Å; I359-T363 PolarHBondContact O-N 3.11Å; I359-T363 PolarHBondContact O-OG1 3.2Å; I359-T363 VanDerWaalsContact O-OG1 3.12Å |
| 360 | F | 78.5 | Confident | 75.3 | Confident | 140 Ų | 140 | 89.3 Ų | 89.3 | 61% | 0.614 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -64.8 | -40.6 | 177.6 | -162.8 | -87.4 | 0 | 0 | 0 | 112.3 | T356 I358 L362 T363 Y364 | T356-F360 WeakPolarHBondContact O-CB 3.4Å; T356-F360 PolarHBondContact O-N 3.45Å; I358-F360 VanDerWaalsContact C-N 3.33Å; I358-F360 PolarHBondContact O-N 3.44Å; F360-L362 VanDerWaalsContact C-N 3.34Å; F360-L362 PolarHBondContact O-N 3.39Å; F360-T363 WeakPolarHBondContact CA-OG1 3.29Å; F360-T363 PolarHBondContact O-N 3.04Å; F360-T363 PolarHBondContact O-OG1 3.04Å; F360-Y364 WeakPolarHBondContact O-CB 3.29Å; F360-Y364 PolarHBondContact O-N 3.28Å |
| 361 | S | 78.7 | Confident | 74.3 | Confident | 70 Ų | 70 | 90 Ų | 90 | 49% | 0.49 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.8 | -38.4 | 175.4 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | L357 I358 F365 | L357-S361 VanDerWaalsContact O-CB 3.32Å; L357-S361 WeakPolarHBondContact O-CB 3.17Å; L357-S361 PolarHBondContact O-N 2.97Å; L357-S361 PolarHBondContact O-OG 3.02Å; I358-S361 PolarHBondContact O-N 3.19Å; S361-F365 VanDerWaalsContact O-CB 3.26Å; S361-F365 WeakPolarHBondContact O-CB 3.33Å; S361-F365 PolarHBondContact O-N 3.49Å |
| 362 | L | 77.1 | Confident | 73.4 | Confident | 45 Ų | 45 | 91.8 Ų | 91.8 | 24% | 0.236 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -72.9 | -38.2 | 177.6 | -71.8 | 169.7 | 0 | 0 | 0 | 112.8 | L336 F339 I358 I359 F360 H366 | L336-L362 HydrophobicContact CD1-CB 3.99Å; F339-L362 HydrophobicContact CD1-CD1 4.03Å; F339-L362 HydrophobicContact CE1-CD1 3.86Å; F339-L362 HydrophobicContact CE1-CD2 4.19Å; I358-L362 HydrophobicContact CG2-CD1 3.85Å; I358-L362 HydrophobicContact CG2-CG 4.45Å; I358-L362 WeakPolarHBondContact O-CB 3.11Å; I358-L362 VanDerWaalsContact O-CG 3.29Å; I358-L362 WeakPolarHBondContact O-CG 3.44Å; I358-L362 PolarHBondContact O-N 3.12Å; I359-L362 PolarHBondContact O-N 3.39Å; F360-L362 VanDerWaalsContact C-N 3.34Å; F360-L362 PolarHBondContact O-N 3.39Å; L362-H366 VanDerWaalsContact O-CB 3.3Å; L362-H366 WeakPolarHBondContact O-CB 3.25Å; L362-H366 PolarHBondContact O-N 2.97Å |
| 363 | T | 74.9 | Confident | 72.5 | Confident | 59 Ų | 59 | 87.4 Ų | 87.4 | 36% | 0.362 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69.3 | -40 | 172.9 | 51.6 | 0 | 0 | 0 | 0 | 111.4 | L336 I359 F360 H366 F367 | L336-T363 HydrophobicContact CD2-CG2 4.02Å; I359-T363 PolarHBondContact O-N 3.11Å; I359-T363 PolarHBondContact O-OG1 3.2Å; I359-T363 VanDerWaalsContact O-OG1 3.12Å; F360-T363 WeakPolarHBondContact CA-OG1 3.29Å; F360-T363 PolarHBondContact O-N 3.04Å; F360-T363 PolarHBondContact O-OG1 3.04Å; T363-H366 PolarHBondContact O-N 3.49Å; T363-F367 WeakPolarHBondContact O-CB 3.42Å; T363-F367 PolarHBondContact O-N 2.8Å |
| 364 | Y | 76.3 | Confident | 71.1 | Confident | 137 Ų | 137 | 85.6 Ų | 85.6 | 54% | 0.537 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.9 | -47.7 | 174.3 | -171.5 | -91.4 | 0 | 0 | 0 | 111.4 | F360 H366 F367 H368 | F360-Y364 WeakPolarHBondContact O-CB 3.29Å; F360-Y364 PolarHBondContact O-N 3.28Å; Y364-H366 VanDerWaalsContact C-N 3.35Å; Y364-H366 PolarHBondContact O-N 3.5Å; Y364-F367 PolarHBondContact O-N 2.6Å; Y364-H368 AromaticContact CE1-CD2 3.81Å; Y364-H368 AromaticContact CZ-CD2 3.93Å; Y364-H368 WeakPolarHBondContact O-CB 3.46Å; Y364-H368 PolarHBondContact O-N 2.92Å |
| 365 | F | 75.9 | Confident | 69.7 | Low | 143 Ų | 143 | 86.4 Ų | 86.4 | 63% | 0.627 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -61.3 | -41.8 | 175.5 | -171.2 | -89.2 | 0 | 0 | 0 | 111.7 | S361 H368 F369 | S361-F365 VanDerWaalsContact O-CB 3.26Å; S361-F365 WeakPolarHBondContact O-CB 3.33Å; S361-F365 PolarHBondContact O-N 3.49Å; F365-H368 PolarHBondContact O-N 3.19Å; F365-F369 HydrophobicContact CE1-CD2 4.42Å; F365-F369 WeakPolarHBondContact O-CB 3.29Å; F365-F369 PolarHBondContact O-N 3.22Å |
| 366 | H | 69.4 | Low | 68.3 | Low | 30 Ų | 30 | 90.1 Ų | 90.1 | 14% | 0.139 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 173.8 | 171.8 | 35.8 | 0 | 0 | 0 | 112.4 | Q333 L336 L362 T363 Y364 F369 C370 | Q333-H366 WeakPolarHBondContact CG-NE2 3.14Å; L336-H366 HydrophobicContact CD2-CB 3.9Å; L336-H366 VanDerWaalsContact CD2-CD2 3.45Å; L336-H366 WeakPolarHBondContact CD2-CD2 3.36Å; L362-H366 VanDerWaalsContact O-CB 3.3Å; L362-H366 WeakPolarHBondContact O-CB 3.25Å; L362-H366 PolarHBondContact O-N 2.97Å; T363-H366 PolarHBondContact O-N 3.49Å; Y364-H366 VanDerWaalsContact C-N 3.35Å; Y364-H366 PolarHBondContact O-N 3.5Å; H366-F369 PolarHBondContact O-N 2.91Å; H366-C370 PolarHBondContact CE1-SG 3.15Å; H366-C370 WeakPolarHBondContact O-CB 3.48Å; H366-C370 PolarHBondContact O-N 3.23Å |
| 367 | F | 67.9 | Low | 67.2 | Low | 136 Ų | 136 | 92.6 Ų | 92.6 | 60% | 0.596 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.3 | -46.7 | 177.5 | -175.6 | -101.1 | 0 | 0 | 0 | 111.2 | T363 Y364 F369 C370 L371 | T363-F367 WeakPolarHBondContact O-CB 3.42Å; T363-F367 PolarHBondContact O-N 2.8Å; Y364-F367 PolarHBondContact O-N 2.6Å; F367-F369 PolarHBondContact O-N 2.95Å; F367-C370 PolarHBondContact O-N 3.17Å; F367-L371 HydrophobicContact CD1-CD1 3.88Å; F367-L371 HydrophobicContact CE1-CD1 3.54Å; F367-L371 HydrophobicContact CE1-CG 4.49Å; F367-L371 HydrophobicContact CZ-CD1 4.17Å; F367-L371 PolarHBondContact O-N 2.95Å |
| 368 | H | 69.4 | Low | 66.6 | Low | 83 Ų | 83 | 94.8 Ų | 94.8 | 38% | 0.384 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68 | -35.4 | 178.9 | -139.2 | -59.2 | 0 | 0 | 0 | 112.6 | Y364 F365 L371 L372 | Y364-H368 AromaticContact CE1-CD2 3.81Å; Y364-H368 AromaticContact CZ-CD2 3.93Å; Y364-H368 WeakPolarHBondContact O-CB 3.46Å; Y364-H368 PolarHBondContact O-N 2.92Å; F365-H368 PolarHBondContact O-N 3.19Å; H368-L371 PolarHBondContact O-N 2.92Å; H368-L372 WeakPolarHBondContact O-CB 3.18Å; H368-L372 VanDerWaalsContact O-CG 3.28Å; H368-L372 WeakPolarHBondContact O-CG 3.22Å; H368-L372 PolarHBondContact O-N 3.46Å |
| 369 | F | 69.9 | Low | 66.6 | Low | 101 Ų | 101 | 94.2 Ų | 94.2 | 44% | 0.443 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.5 | -35.4 | 172.3 | -174.1 | -101 | 0 | 0 | 0 | 111.8 | F365 H366 F367 L372 I373 | F365-F369 HydrophobicContact CE1-CD2 4.42Å; F365-F369 WeakPolarHBondContact O-CB 3.29Å; F365-F369 PolarHBondContact O-N 3.22Å; H366-F369 PolarHBondContact O-N 2.91Å; F367-F369 PolarHBondContact O-N 2.95Å; F369-L372 PolarHBondContact O-N 2.76Å; F369-I373 HydrophobicContact CD1-CD1 4.08Å; F369-I373 HydrophobicContact CD2-CD1 4.4Å; F369-I373 HydrophobicContact CE1-CD1 3.52Å; F369-I373 HydrophobicContact CE2-CD1 3.88Å; F369-I373 HydrophobicContact CG-CD1 4.5Å; F369-I373 HydrophobicContact CZ-CD1 3.41Å; F369-I373 VanDerWaalsContact CZ-CD1 3.41Å; F369-I373 WeakPolarHBondContact O-CG1 3.47Å; F369-I373 PolarHBondContact O-N 3.07Å |
| 370 | C | 59.9 | Low | 67.1 | Low | 15 Ų | 15 | 95 Ų | 95 | 10% | 0.101 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -76.8 | -21.1 | 173.3 | -77.7 | 0 | 0 | 0 | 0 | 114.2 | L329 H366 F367 I373 | L329-C370 HydrophobicContact CD2-CB 3.77Å; H366-C370 PolarHBondContact CE1-SG 3.15Å; H366-C370 WeakPolarHBondContact O-CB 3.48Å; H366-C370 PolarHBondContact O-N 3.23Å; F367-C370 PolarHBondContact O-N 3.17Å; C370-I373 CarbonylContact O-C 3.38Å |
| 371 | L | 59.6 | Low | 67.9 | Low | 82 Ų | 82 | 92 Ų | 92 | 43% | 0.429 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -74.3 | -44.5 | 165.4 | -80.1 | 165.7 | 0 | 0 | 0 | 111.4 | F367 H368 I373 Q374 | F367-L371 HydrophobicContact CD1-CD1 3.88Å; F367-L371 HydrophobicContact CE1-CD1 3.54Å; F367-L371 HydrophobicContact CE1-CG 4.49Å; F367-L371 HydrophobicContact CZ-CD1 4.17Å; F367-L371 PolarHBondContact O-N 2.95Å; H368-L371 PolarHBondContact O-N 2.92Å; L371-I373 VanDerWaalsContact C-N 3.27Å; L371-I373 PolarHBondContact O-N 3.05Å; L371-Q374 PolarHBondContact O-N 3.37Å; L371-Q374 VanDerWaalsContact O-N 3.16Å |
| 372 | L | 60 | Low | 68.7 | Low | 134 Ų | 134 | 88.7 Ų | 88.7 | 70% | 0.702 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -66.8 | -26.9 | 176.1 | -71.8 | 166 | 0 | 0 | 0 | 112.9 | H368 F369 | H368-L372 WeakPolarHBondContact O-CB 3.18Å; H368-L372 VanDerWaalsContact O-CG 3.28Å; H368-L372 WeakPolarHBondContact O-CG 3.22Å; H368-L372 PolarHBondContact O-N 3.46Å; F369-L372 PolarHBondContact O-N 2.76Å |
| 373 | I | 56.2 | Low | 69.7 | Low | 60 Ų | 60 | 87 Ų | 87 | 31% | 0.308 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 54.4 | 168.5 | -46.7 | 179.2 | 0 | 0 | 0 | 109.7 | V328 F369 C370 L371 P375 | V328-I373 HydrophobicContact CG1-CB 4.43Å; V328-I373 HydrophobicContact CG1-CG2 3.97Å; F369-I373 HydrophobicContact CD1-CD1 4.08Å; F369-I373 HydrophobicContact CD2-CD1 4.4Å; F369-I373 HydrophobicContact CE1-CD1 3.52Å; F369-I373 HydrophobicContact CE2-CD1 3.88Å; F369-I373 HydrophobicContact CG-CD1 4.5Å; F369-I373 HydrophobicContact CZ-CD1 3.41Å; F369-I373 VanDerWaalsContact CZ-CD1 3.41Å; F369-I373 WeakPolarHBondContact O-CG1 3.47Å; F369-I373 PolarHBondContact O-N 3.07Å; C370-I373 CarbonylContact O-C 3.38Å; L371-I373 VanDerWaalsContact C-N 3.27Å; L371-I373 PolarHBondContact O-N 3.05Å; I373-P375 VanDerWaalsContact C-CD 3.43Å; I373-P375 HydrophobicContact CG2-CG 4.1Å; I373-P375 VanDerWaalsContact O-CD 3.32Å; I373-P375 WeakPolarHBondContact O-CD 3.17Å |
| 374 | Q | 48.8 | Very low | 70.7 | Confident | 142 Ų | 142 | 84.2 Ų | 84.2 | 66% | 0.664 | 42% | 0.415 | S | S | * | . | trans | -90.7 | 93.8 | 138.3 | -68.7 | -170.8 | -4.1 | 0 | 0 | 108.6 | L371 | L371-Q374 PolarHBondContact O-N 3.37Å; L371-Q374 VanDerWaalsContact O-N 3.16Å | ||
| 375 | P | 47.7 | Very low | 71.6 | Confident | 59 Ų | 59 | 78.3 Ų | 78.3 | 38% | 0.383 | 39% | 0.392 | S | S | . | . | trans | -62.5 | 148.2 | 158.6 | -16.5 | 32.9 | 0 | 0 | 0 | 108.3 | I373 F377 | I373-P375 VanDerWaalsContact C-CD 3.43Å; I373-P375 HydrophobicContact CG2-CG 4.1Å; I373-P375 VanDerWaalsContact O-CD 3.32Å; I373-P375 WeakPolarHBondContact O-CD 3.17Å; P375-F377 HydrophobicContact CB-CD2 3.93Å; P375-F377 HydrophobicContact CB-CE2 4.02Å; P375-F377 HydrophobicContact CB-CG 4.25Å; P375-F377 HydrophobicContact CB-CZ 4.4Å; P375-F377 HydrophobicContact CG-CD2 3.9Å; P375-F377 HydrophobicContact CG-CE2 3.51Å; P375-F377 HydrophobicContact CG-CZ 3.89Å; P375-F377 PolarHBondContact O-N 2.6Å | ||
| 376 | N | 47.1 | Very low | 72.4 | Confident | 163 Ų | 163 | 72.1 Ų | 72.1 | 87% | 0.872 | 37% | 0.366 | S | S | * | . | trans | -64.6 | 80.7 | 151.7 | -72.2 | -24.9 | 0 | 0 | 0 | 107.2 | D378 | N376-D378 PolarHBondContact O-N 3.09Å; N376-D378 VanDerWaalsContact O-N 3.14Å | ||
| 377 | F | 55.8 | Low | 73.2 | Confident | 131 Ų | 131 | 70.7 Ų | 70.7 | 58% | 0.575 | 36% | 0.36 | S | S | * | . | trans | -69.3 | 106 | 168.5 | -84.8 | -65.9 | 0 | 0 | 0 | 107 | P326 V328 P375 | P326-F377 HydrophobicContact CB-CD2 4.41Å; P326-F377 HydrophobicContact CB-CE2 4.17Å; V328-F377 HydrophobicContact CG2-CE2 4.47Å; P375-F377 HydrophobicContact CB-CD2 3.93Å; P375-F377 HydrophobicContact CB-CE2 4.02Å; P375-F377 HydrophobicContact CB-CG 4.25Å; P375-F377 HydrophobicContact CB-CZ 4.4Å; P375-F377 HydrophobicContact CG-CD2 3.9Å; P375-F377 HydrophobicContact CG-CE2 3.51Å; P375-F377 HydrophobicContact CG-CZ 3.89Å; P375-F377 PolarHBondContact O-N 2.6Å | ||
| 378 | D | 66.6 | Low | 74 | Confident | 143 Ų | 143 | 68.1 Ų | 68.1 | 77% | 0.765 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -49.6 | 134.9 | 171.5 | -68 | -50.8 | 0 | 0 | 0 | 109.6 | N376 L380 | N376-D378 PolarHBondContact O-N 3.09Å; N376-D378 VanDerWaalsContact O-N 3.14Å; D378-L380 PolarHBondContact O-N 3.4Å |
| 379 | P | 80.9 | Confident | 74.4 | Confident | 54 Ų | 54 | 70 Ų | 70 | 35% | 0.351 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 131.5 | -177.9 | -25.5 | 34.5 | 0 | 0 | 0 | 111.3 | S321 R323 L381 | S321-P379 VanDerWaalsContact CB-CB 3.49Å; R323-P379 HydrophobicContact CG-CB 4.49Å; R323-P379 HydrophobicContact CG-CG 4.37Å; P379-L381 PolarHBondContact O-N 3.36Å |
| 380 | L | 89.3 | Confident | 75 | Confident | 67 Ų | 67 | 71.7 Ų | 71.7 | 35% | 0.351 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 122.7 | -179.4 | 179.4 | 60.5 | 0 | 0 | 0 | 109.2 | S321 Y322 D378 V382 F418 | S321-L380 CarbonylContact C-O 3.46Å; S321-L380 WeakPolarHBondContact CA-O 3.48Å; Y322-L380 PolarHBondContact N-O 2.99Å; Y322-L380 PolarHBondContact O-N 3.26Å; D378-L380 PolarHBondContact O-N 3.4Å; L380-V382 HydrophobicContact CG-CG1 4.39Å; L380-V382 PolarHBondContact O-N 3.02Å; L380-F418 HydrophobicContact CD2-CD2 4.21Å; L380-F418 HydrophobicContact CD2-CE1 4.14Å; L380-F418 HydrophobicContact CD2-CE2 3.73Å; L380-F418 HydrophobicContact CD2-CZ 3.71Å; L380-F418 HydrophobicContact CG-CE2 4.3Å; L380-F418 HydrophobicContact CG-CZ 4.49Å |
| 381 | L | 93.8 | Very high | 75.6 | Confident | 79 Ų | 79 | 71.4 Ų | 71.4 | 41% | 0.414 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 127.6 | 173.3 | -75.1 | 175.3 | 0 | 0 | 0 | 110.3 | G320 P379 Y432 | G320-L381 WeakPolarHBondContact O-CA 3.4Å; P379-L381 PolarHBondContact O-N 3.36Å; L381-Y432 HydrophobicContact CB-CD1 4.04Å; L381-Y432 HydrophobicContact CD1-CD1 4.28Å |
| 382 | V | 96.6 | Very high | 76.5 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 150.1 | -175.6 | -68.2 | 0 | 0 | 0 | 0 | 111.4 | G320 Y322 L380 V384 F418 V429 M430 | G320-V382 PolarHBondContact N-O 3.16Å; G320-V382 WeakPolarHBondContact O-CG2 3.47Å; G320-V382 PolarHBondContact O-N 2.85Å; Y322-V382 HydrophobicContact CD1-CG1 4.29Å; Y322-V382 HydrophobicContact CG-CG1 4.45Å; L380-V382 HydrophobicContact CG-CG1 4.39Å; L380-V382 PolarHBondContact O-N 3.02Å; V382-V384 HydrophobicContact CG2-CG2 3.88Å; V382-F418 HydrophobicContact CG1-CD2 3.68Å; V382-F418 HydrophobicContact CG1-CE2 3.83Å; V382-V429 HydrophobicContact CB-CG1 3.98Å; V382-V429 HydrophobicContact CG1-CG1 3.81Å; V382-V429 HydrophobicContact CG2-CG1 4.16Å; V382-M430 CarbonylContact C-O 3.44Å; V382-M430 VanDerWaalsContact CA-O 3.23Å; V382-M430 WeakPolarHBondContact CA-O 3.35Å; V382-M430 WeakPolarHBondContact CB-O 3.34Å |
| 383 | A | 97 | Very high | 77.2 | Confident | 9 Ų | 9 | 68.6 Ų | 68.6 | 7% | 0.074 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 135.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | V317 Y318 M430 | V317-A383 HydrophobicContact CG1-CB 4.43Å; Y318-A383 CarbonylContact O-C 3.15Å; Y318-A383 VanDerWaalsContact O-CA 3.31Å; Y318-A383 WeakPolarHBondContact O-CA 3.22Å; A383-M430 HydrophobicContact CB-CB 4.41Å; A383-M430 HydrophobicContact CB-CE 4.14Å; A383-M430 PolarHBondContact N-O 3.05Å; A383-M430 WeakPolarHBondContact O-CA 3.47Å; A383-M430 PolarHBondContact O-N 3.26Å |
| 384 | V | 96 | Very high | 78.1 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 106.2 | -179.5 | -170.8 | 0 | 0 | 0 | 0 | 108.9 | V303 L305 V317 Y318 V382 T386 W427 L428 | V303-V384 HydrophobicContact CG1-CG2 3.96Å; L305-V384 HydrophobicContact CD2-CB 3.8Å; L305-V384 HydrophobicContact CD2-CG1 3.91Å; L305-V384 HydrophobicContact CD2-CG2 3.82Å; V317-V384 CarbonylContact C-O 3.58Å; V317-V384 WeakPolarHBondContact CA-O 3.42Å; Y318-V384 PolarHBondContact N-O 2.87Å; Y318-V384 PolarHBondContact O-N 3.41Å; V382-V384 HydrophobicContact CG2-CG2 3.88Å; V384-T386 HydrophobicContact CG1-CG2 4.48Å; V384-W427 HydrophobicContact CG1-CB 3.73Å; V384-W427 HydrophobicContact CG1-CD2 4.05Å; V384-W427 HydrophobicContact CG1-CE3 4.18Å; V384-W427 HydrophobicContact CG1-CG 3.88Å; V384-L428 VanDerWaalsContact CA-O 3.31Å; V384-L428 WeakPolarHBondContact CA-O 3.25Å |
| 385 | K | 95.3 | Very high | 79.5 | Confident | 13 Ų | 13 | 66.8 Ų | 66.8 | 6% | 0.057 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 133.9 | 170.9 | -147.6 | 179.4 | -161.6 | 177.2 | 0 | 107.4 | V317 F399 E402 W427 L428 M430 D495 | V317-K385 HydrophobicContact CG2-CG 4.26Å; K385-F399 HydrophobicContact CB-CE2 4.3Å; K385-F399 HydrophobicContact CB-CZ 4.13Å; K385-F399 HydrophobicContact CD-CE2 4Å; K385-F399 HydrophobicContact CG-CE2 3.93Å; K385-F399 HydrophobicContact CG-CZ 4.27Å; K385-E402 IonicContact NZ-OE1 3.62Å; K385-E402 PolarHBondContact NZ-OE1 2.89Å; K385-E402 IonicContact NZ-OE2 2.76Å; K385-E402 PolarHBondContact NZ-OE2 2.65Å; K385-W427 CarbonylContact O-C 3.57Å; K385-W427 WeakPolarHBondContact O-CA 3.12Å; K385-L428 HydrophobicContact CB-CB 4.08Å; K385-L428 HydrophobicContact CB-CG 4.37Å; K385-L428 HydrophobicContact CD-CD1 4.39Å; K385-L428 PolarHBondContact N-O 3.47Å; K385-L428 PolarHBondContact O-N 2.74Å; K385-M430 HydrophobicContact CB-CE 3.86Å; K385-D495 IonicContact NZ-OD1 2.7Å; K385-D495 PolarHBondContact NZ-OD1 3.17Å |
| 386 | T | 92.6 | Very high | 81.2 | Confident | 13 Ų | 13 | 67.8 Ų | 67.8 | 8% | 0.08 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 153.4 | 176.4 | 67.2 | 0 | 0 | 0 | 0 | 111.8 | G315 D316 Y318 V384 F399 W427 | G315-T386 CarbonylContact C-O 3.55Å; G315-T386 VanDerWaalsContact CA-O 3.27Å; G315-T386 WeakPolarHBondContact CA-O 3.46Å; D316-T386 PolarHBondContact N-OG1 3.01Å; D316-T386 PolarHBondContact O-N 2.75Å; D316-T386 PolarHBondContact O-OG1 3.05Å; D316-T386 VanDerWaalsContact O-OG1 3.13Å; Y318-T386 HydrophobicContact CD2-CG2 3.73Å; Y318-T386 HydrophobicContact CE2-CG2 3.57Å; V384-T386 HydrophobicContact CG1-CG2 4.48Å; T386-F399 WeakPolarHBondContact O-CE2 3.29Å; T386-F399 WeakPolarHBondContact O-CZ 3.36Å; T386-W427 HydrophobicContact CG2-CG 4.3Å |
| 387 | C | 88 | Confident | 82.7 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.007 | 32% | 0.319 | C | S | . | . | trans | -98.4 | 137.3 | 167.1 | -150.5 | 0 | 0 | 0 | 0 | 109.4 | F314 R396 F399 P425 I426 | F314-C387 CarbonylContact O-C 3.59Å; F314-C387 WeakPolarHBondContact O-CA 3.46Å; C387-R396 VanDerWaalsContact SG-CG 3.57Å; C387-F399 HydrophobicContact CB-CD1 3.79Å; C387-F399 HydrophobicContact CB-CD2 4.33Å; C387-F399 HydrophobicContact CB-CE1 3.79Å; C387-F399 HydrophobicContact CB-CE2 4.32Å; C387-F399 HydrophobicContact CB-CG 4.05Å; C387-F399 HydrophobicContact CB-CZ 4.06Å; C387-P425 WeakPolarHBondContact O-CB 3.45Å; C387-I426 HydrophobicContact CB-CB 4.31Å; C387-I426 PolarHBondContact N-O 2.72Å | ||
| 388 | K | 83 | Confident | 84 | Confident | 81 Ų | 81 | 61.3 Ų | 61.3 | 35% | 0.352 | 30% | 0.303 | S | S | . | . | trans | -68.1 | 143 | 177.1 | -67.1 | 177.8 | -177.7 | -174 | 0 | 110.6 | E311 F314 D390 A391 | E311-K388 IonicContact OE1-NZ 3.13Å; E311-K388 PolarHBondContact OE1-NZ 2.8Å; F314-K388 WeakPolarHBondContact O-CG 3.48Å; F314-K388 PolarHBondContact O-N 2.69Å; K388-D390 WeakPolarHBondContact CB-OD1 3.31Å; K388-D390 PolarHBondContact O-N 2.77Å; K388-A391 WeakPolarHBondContact O-CB 3.34Å; K388-A391 PolarHBondContact O-N 2.89Å | ||
| 389 | L | 79.3 | Confident | 85 | Confident | 122 Ų | 122 | 54.5 Ų | 54.5 | 64% | 0.639 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -27.2 | -176.7 | -80 | 170.5 | 0 | 0 | 0 | 113.6 | E424 P425 | L389-E424 HydrophobicContact CD2-CB 4.15Å; L389-P425 HydrophobicContact CD2-CB 4.01Å; L389-P425 HydrophobicContact CD2-CG 4.36Å; L389-P425 HydrophobicContact CG-CB 4.11Å; L389-P425 HydrophobicContact CG-CG 4.39Å |
| 390 | D | 81.1 | Confident | 85.4 | Confident | 138 Ų | 138 | 54.3 Ų | 54.3 | 74% | 0.738 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 2.9 | 176.3 | 61.7 | -35.5 | 0 | 0 | 0 | 113.4 | K388 S392 | K388-D390 WeakPolarHBondContact CB-OD1 3.31Å; K388-D390 PolarHBondContact O-N 2.77Å; D390-S392 PolarHBondContact O-N 3.09Å |
| 391 | A | 73.9 | Confident | 85.3 | Confident | 9 Ų | 9 | 54.4 Ų | 54.4 | 7% | 0.074 | 26% | 0.261 | C | S | . | . | trans | -59.5 | 137.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K388 E395 R396 | K388-A391 WeakPolarHBondContact O-CB 3.34Å; K388-A391 PolarHBondContact O-N 2.89Å; A391-E395 HydrophobicContact CB-CB 4.08Å; A391-R396 HydrophobicContact CB-CG 4.13Å; A391-R396 VanDerWaalsContact O-CZ 3.3Å; A391-R396 PolarHBondContact O-NE 3.19Å; A391-R396 PolarHBondContact O-NH2 3.21Å | ||
| 392 | S | 76.9 | Confident | 85.2 | Confident | 45 Ų | 45 | 50.8 Ų | 50.8 | 32% | 0.315 | 24% | 0.242 | S | C | . | . | trans | -58.8 | 160.5 | 174.4 | 60.9 | 0 | 0 | 0 | 0 | 111.9 | D390 E394 E395 R396 | D390-S392 PolarHBondContact O-N 3.09Å; S392-E394 PolarHBondContact O-N 2.76Å; S392-E395 WeakPolarHBondContact CB-OE2 3.37Å; S392-E395 PolarHBondContact N-OE2 3.37Å; S392-E395 PolarHBondContact O-N 2.95Å; S392-E395 VanDerWaalsContact O-N 3.12Å; S392-E395 WeakPolarHBondContact OG-CB 3.43Å; S392-E395 VanDerWaalsContact OG-CG 3.25Å; S392-E395 WeakPolarHBondContact OG-CG 3.45Å; S392-E395 PolarHBondContact OG-N 3.27Å; S392-E395 PolarHBondContact OG-OE2 2.93Å; S392-R396 PolarHBondContact O-N 3.4Å | ||
| 393 | Y | 75.5 | Confident | 84.9 | Confident | 112 Ų | 112 | 50.8 Ų | 50.8 | 44% | 0.439 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58 | -38.8 | 173.4 | 167.7 | -107.7 | 0 | 0 | 0 | 111.1 | L285 E395 R396 K397 | L285-Y393 WeakPolarHBondContact CD1-OH 3.43Å; Y393-E395 VanDerWaalsContact C-N 3.34Å; Y393-E395 PolarHBondContact O-N 3.09Å; Y393-R396 PolarHBondContact O-N 3.05Å; Y393-K397 HydrophobicContact CE1-CD 4.4Å; Y393-K397 WeakPolarHBondContact O-CB 3.45Å; Y393-K397 PolarHBondContact O-N 2.98Å |
| 394 | E | 74 | Confident | 84.6 | Confident | 97 Ų | 97 | 53.2 Ų | 53.2 | 45% | 0.453 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.1 | -37.9 | 175 | -72.6 | 61.3 | -141.2 | 0 | 0 | 112.6 | S392 R398 | S392-E394 PolarHBondContact O-N 2.76Å; E394-R398 WeakPolarHBondContact O-CB 3.5Å; E394-R398 WeakPolarHBondContact O-CD 3.07Å; E394-R398 WeakPolarHBondContact O-CG 3.46Å; E394-R398 PolarHBondContact O-N 2.89Å |
| 395 | E | 79.6 | Confident | 84.3 | Confident | 67 Ų | 67 | 53.9 Ų | 53.9 | 31% | 0.313 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -72.5 | -46.2 | 177.2 | -76.6 | 161 | 143.1 | 0 | 0 | 111.8 | F314 A391 S392 Y393 K397 R398 F399 | F314-E395 HydrophobicContact CD1-CB 4.03Å; F314-E395 HydrophobicContact CD1-CG 4.2Å; F314-E395 HydrophobicContact CE1-CB 4.3Å; F314-E395 HydrophobicContact CE1-CG 4.24Å; A391-E395 HydrophobicContact CB-CB 4.08Å; S392-E395 WeakPolarHBondContact CB-OE2 3.37Å; S392-E395 PolarHBondContact N-OE2 3.37Å; S392-E395 PolarHBondContact O-N 2.95Å; S392-E395 VanDerWaalsContact O-N 3.12Å; S392-E395 WeakPolarHBondContact OG-CB 3.43Å; S392-E395 VanDerWaalsContact OG-CG 3.25Å; S392-E395 WeakPolarHBondContact OG-CG 3.45Å; S392-E395 PolarHBondContact OG-N 3.27Å; S392-E395 PolarHBondContact OG-OE2 2.93Å; Y393-E395 VanDerWaalsContact C-N 3.34Å; Y393-E395 PolarHBondContact O-N 3.09Å; E395-K397 VanDerWaalsContact C-N 3.32Å; E395-K397 PolarHBondContact O-N 3.27Å; E395-R398 PolarHBondContact O-N 2.67Å; E395-F399 WeakPolarHBondContact O-CB 3.41Å; E395-F399 PolarHBondContact O-N 2.83Å |
| 396 | R | 82.7 | Confident | 84.3 | Confident | 80 Ų | 80 | 53.4 Ų | 53.4 | 30% | 0.302 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.5 | -38.6 | 173.5 | -82 | 178.7 | -81.3 | 176.3 | -7.5 | 112.3 | C387 A391 S392 Y393 F399 L400 E424 I426 | C387-R396 VanDerWaalsContact SG-CG 3.57Å; A391-R396 HydrophobicContact CB-CG 4.13Å; A391-R396 VanDerWaalsContact O-CZ 3.3Å; A391-R396 PolarHBondContact O-NE 3.19Å; A391-R396 PolarHBondContact O-NH2 3.21Å; S392-R396 PolarHBondContact O-N 3.4Å; Y393-R396 PolarHBondContact O-N 3.05Å; R396-F399 WeakPolarHBondContact O-CB 3.33Å; R396-F399 PolarHBondContact O-N 3.42Å; R396-L400 WeakPolarHBondContact O-CG 3.19Å; R396-L400 PolarHBondContact O-N 3.24Å; R396-E424 WeakPolarHBondContact CD-OE1 3.5Å; R396-E424 IonicContact CZ-OE1 2.73Å; R396-E424 IonicContact NE-OE1 3.27Å; R396-E424 IonicContact NH1-OE1 2.69Å; R396-E424 PolarHBondContact NH1-OE1 3.31Å; R396-I426 HydrophobicContact CG-CD1 4.4Å |
| 397 | K | 79.5 | Confident | 84.2 | Confident | 93 Ų | 93 | 54.3 Ų | 54.3 | 40% | 0.404 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 172.5 | -176 | 173.3 | -175.7 | -84.5 | 0 | 111.6 | Y393 E395 F399 L400 E401 | Y393-K397 HydrophobicContact CE1-CD 4.4Å; Y393-K397 WeakPolarHBondContact O-CB 3.45Å; Y393-K397 PolarHBondContact O-N 2.98Å; E395-K397 VanDerWaalsContact C-N 3.32Å; E395-K397 PolarHBondContact O-N 3.27Å; K397-F399 VanDerWaalsContact C-N 3.3Å; K397-F399 PolarHBondContact O-N 3.07Å; K397-L400 PolarHBondContact O-N 2.94Å; K397-E401 IonicContact NZ-OE1 3.63Å; K397-E401 PolarHBondContact NZ-OE1 2.85Å; K397-E401 WeakPolarHBondContact O-CB 3.32Å; K397-E401 VanDerWaalsContact O-CG 3.3Å; K397-E401 WeakPolarHBondContact O-CG 3.33Å; K397-E401 PolarHBondContact O-N 2.81Å |
| 398 | R | 82.3 | Confident | 84.3 | Confident | 64 Ų | 64 | 57.9 Ų | 57.9 | 24% | 0.242 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.3 | -35.3 | 177.3 | -71.4 | 160 | -172.3 | 172 | 0 | 112.5 | F314 E394 E395 E401 E402 | F314-R398 HydrophobicContact CE1-CB 3.97Å; F314-R398 HydrophobicContact CZ-CB 3.84Å; E394-R398 WeakPolarHBondContact O-CB 3.5Å; E394-R398 WeakPolarHBondContact O-CD 3.07Å; E394-R398 WeakPolarHBondContact O-CG 3.46Å; E394-R398 PolarHBondContact O-N 2.89Å; E395-R398 PolarHBondContact O-N 2.67Å; R398-E401 PolarHBondContact O-N 3.38Å; R398-E402 PolarHBondContact O-N 3.1Å |
| 399 | F | 88.1 | Confident | 84.8 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.4 | -40.2 | 175.8 | -164.8 | -102.3 | 0 | 0 | 0 | 112.3 | F314 K385 T386 C387 E395 R396 K397 A403 I426 L428 | F314-F399 HydrophobicContact CB-CD2 3.6Å; F314-F399 HydrophobicContact CB-CE2 4.02Å; F314-F399 AromaticContact CD2-CD2 3.82Å; F314-F399 HydrophobicContact CD2-CD2 3.82Å; F314-F399 AromaticContact CG-CD2 3.87Å; F314-F399 HydrophobicContact CG-CD2 3.87Å; K385-F399 HydrophobicContact CB-CE2 4.3Å; K385-F399 HydrophobicContact CB-CZ 4.13Å; K385-F399 HydrophobicContact CD-CE2 4Å; K385-F399 HydrophobicContact CG-CE2 3.93Å; K385-F399 HydrophobicContact CG-CZ 4.27Å; T386-F399 WeakPolarHBondContact O-CE2 3.29Å; T386-F399 WeakPolarHBondContact O-CZ 3.36Å; C387-F399 HydrophobicContact CB-CD1 3.79Å; C387-F399 HydrophobicContact CB-CD2 4.33Å; C387-F399 HydrophobicContact CB-CE1 3.79Å; C387-F399 HydrophobicContact CB-CE2 4.32Å; C387-F399 HydrophobicContact CB-CG 4.05Å; C387-F399 HydrophobicContact CB-CZ 4.06Å; E395-F399 WeakPolarHBondContact O-CB 3.41Å; E395-F399 PolarHBondContact O-N 2.83Å; R396-F399 WeakPolarHBondContact O-CB 3.33Å; R396-F399 PolarHBondContact O-N 3.42Å; K397-F399 VanDerWaalsContact C-N 3.3Å; K397-F399 PolarHBondContact O-N 3.07Å; F399-A403 PolarHBondContact O-N 3.04Å; F399-I426 HydrophobicContact CD1-CB 4.31Å; F399-I426 HydrophobicContact CD1-CG2 3.99Å; F399-I426 HydrophobicContact CE1-CB 4.21Å; F399-I426 HydrophobicContact CE1-CG2 3.9Å; F399-I426 WeakPolarHBondContact CE1-O 3.31Å; F399-L428 HydrophobicContact CD1-CD1 4.49Å; F399-L428 HydrophobicContact CD1-CD2 4.15Å; F399-L428 HydrophobicContact CD1-CG 4.23Å; F399-L428 HydrophobicContact CE1-CD1 4.17Å; F399-L428 HydrophobicContact CE1-CD2 3.75Å; F399-L428 HydrophobicContact CE1-CG 3.57Å; F399-L428 HydrophobicContact CE2-CD1 4.41Å; F399-L428 HydrophobicContact CE2-CG 4.46Å; F399-L428 HydrophobicContact CZ-CD1 4.13Å; F399-L428 HydrophobicContact CZ-CD2 4.4Å; F399-L428 HydrophobicContact CZ-CG 3.71Å |
| 400 | L | 88.4 | Confident | 85.3 | Confident | 50 Ų | 50 | 54.8 Ų | 54.8 | 26% | 0.262 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -75.4 | -29.5 | 173.2 | -68.7 | 175 | 0 | 0 | 0 | 113 | L293 R396 K397 A403 H404 V420 I426 | L293-L400 HydrophobicContact CD1-CD2 4.24Å; R396-L400 WeakPolarHBondContact O-CG 3.19Å; R396-L400 PolarHBondContact O-N 3.24Å; K397-L400 PolarHBondContact O-N 2.94Å; L400-A403 PolarHBondContact O-N 2.97Å; L400-H404 WeakPolarHBondContact O-CB 3.26Å; L400-H404 PolarHBondContact O-N 3.11Å; L400-V420 HydrophobicContact CD2-CG1 4.45Å; L400-I426 HydrophobicContact CD1-CD1 4.18Å; L400-I426 HydrophobicContact CD2-CD1 4.34Å; L400-I426 HydrophobicContact CD2-CG2 3.97Å; L400-I426 HydrophobicContact CG-CD1 4.29Å |
| 401 | E | 87 | Confident | 86.1 | Confident | 69 Ų | 69 | 50 Ų | 50 | 32% | 0.322 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.2 | -42.2 | 169.6 | -76 | 167.9 | 171.9 | 0 | 0 | 111.1 | K397 R398 A403 H404 I405 | K397-E401 IonicContact NZ-OE1 3.63Å; K397-E401 PolarHBondContact NZ-OE1 2.85Å; K397-E401 WeakPolarHBondContact O-CB 3.32Å; K397-E401 VanDerWaalsContact O-CG 3.3Å; K397-E401 WeakPolarHBondContact O-CG 3.33Å; K397-E401 PolarHBondContact O-N 2.81Å; R398-E401 PolarHBondContact O-N 3.38Å; E401-A403 VanDerWaalsContact C-N 3.35Å; E401-A403 PolarHBondContact O-N 2.71Å; E401-H404 PolarHBondContact O-N 2.77Å; E401-I405 VanDerWaalsContact O-CG1 3.31Å; E401-I405 WeakPolarHBondContact O-CG1 3.45Å; E401-I405 PolarHBondContact O-N 3.43Å |
| 402 | E | 91.5 | Very high | 87.2 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 1% | 0.014 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.2 | -46 | 171.9 | -179.3 | 172.7 | -177.3 | 0 | 0 | 111.7 | K385 R398 H404 I405 L406 L428 F496 G497 | K385-E402 IonicContact NZ-OE1 3.62Å; K385-E402 PolarHBondContact NZ-OE1 2.89Å; K385-E402 IonicContact NZ-OE2 2.76Å; K385-E402 PolarHBondContact NZ-OE2 2.65Å; R398-E402 PolarHBondContact O-N 3.1Å; E402-H404 PolarHBondContact O-N 3.34Å; E402-I405 PolarHBondContact O-N 3.36Å; E402-L406 VanDerWaalsContact O-CB 3.29Å; E402-L406 WeakPolarHBondContact O-CB 3.27Å; E402-L406 PolarHBondContact O-N 3.19Å; E402-L428 HydrophobicContact CG-CD1 4.45Å; E402-F496 HydrophobicContact CG-CB 3.96Å; E402-F496 PolarHBondContact OE1-N 3.32Å; E402-F496 VanDerWaalsContact OE1-N 3.14Å; E402-G497 PolarHBondContact OE1-N 3.4Å; E402-G497 WeakPolarHBondContact OE2-CA 3.42Å |
| 403 | A | 91.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62 | -42.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | L293 F399 L400 E401 G407 L417 V420 L428 | L293-A403 HydrophobicContact CD2-CB 4.16Å; F399-A403 PolarHBondContact O-N 3.04Å; L400-A403 PolarHBondContact O-N 2.97Å; E401-A403 VanDerWaalsContact C-N 3.35Å; E401-A403 PolarHBondContact O-N 2.71Å; A403-G407 PolarHBondContact O-N 3.41Å; A403-L417 HydrophobicContact CB-CD2 4.44Å; A403-L417 VanDerWaalsContact O-CD2 3.25Å; A403-L417 WeakPolarHBondContact O-CD2 3.23Å; A403-V420 HydrophobicContact CB-CG2 3.9Å; A403-L428 HydrophobicContact CB-CD1 4.14Å; A403-L428 HydrophobicContact CB-CD2 3.55Å; A403-L428 HydrophobicContact CB-CG 4.48Å |
| 404 | H | 89.5 | Confident | 89.3 | Confident | 61 Ų | 61 | 47.5 Ų | 47.5 | 28% | 0.282 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.6 | -46 | 177.2 | 173.1 | 36.8 | 0 | 0 | 0 | 111.8 | Q292 L400 E401 E402 | Q292-H404 PolarHBondContact OE1-CE1 2.77Å; Q292-H404 PolarHBondContact OE1-ND1 2.71Å; L400-H404 WeakPolarHBondContact O-CB 3.26Å; L400-H404 PolarHBondContact O-N 3.11Å; E401-H404 PolarHBondContact O-N 2.77Å; E402-H404 PolarHBondContact O-N 3.34Å |
| 405 | I | 91.6 | Very high | 90.4 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 7% | 0.067 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66 | -46 | 178.4 | -66.1 | 170.4 | 0 | 0 | 0 | 110.6 | E401 E402 G407 E408 F409 F496 I501 | E401-I405 VanDerWaalsContact O-CG1 3.31Å; E401-I405 WeakPolarHBondContact O-CG1 3.45Å; E401-I405 PolarHBondContact O-N 3.43Å; E402-I405 PolarHBondContact O-N 3.36Å; I405-G407 VanDerWaalsContact C-N 3.32Å; I405-G407 PolarHBondContact O-N 3.07Å; I405-E408 WeakPolarHBondContact O-CB 3.32Å; I405-E408 PolarHBondContact O-N 2.91Å; I405-F409 HydrophobicContact CG2-CE2 4.17Å; I405-F409 WeakPolarHBondContact O-CD2 3.42Å; I405-F409 VanDerWaalsContact O-CE2 3.29Å; I405-F409 WeakPolarHBondContact O-CE2 3.48Å; I405-F496 HydrophobicContact CG2-CD1 3.94Å; I405-I501 HydrophobicContact CG1-CD1 4.16Å; I405-I501 HydrophobicContact CG1-CG1 4.26Å; I405-I501 HydrophobicContact CG2-CD1 4.32Å; I405-I501 HydrophobicContact CG2-CG1 4.28Å |
| 406 | L | 94 | Very high | 91.2 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.6 | -34.1 | -179.1 | -170.5 | 59.2 | 0 | 0 | 0 | 112.2 | E402 E408 F409 I414 I415 L417 M430 F496 | E402-L406 VanDerWaalsContact O-CB 3.29Å; E402-L406 WeakPolarHBondContact O-CB 3.27Å; E402-L406 PolarHBondContact O-N 3.19Å; L406-E408 PolarHBondContact O-N 2.85Å; L406-F409 PolarHBondContact O-N 3.4Å; L406-F409 VanDerWaalsContact O-N 3.12Å; L406-I414 HydrophobicContact CD1-CG2 3.93Å; L406-I415 WeakPolarHBondContact CD1-O 3.05Å; L406-L417 HydrophobicContact CD2-CB 4.08Å; L406-L417 HydrophobicContact CG-CB 4Å; L406-M430 HydrophobicContact CD2-SD 4.27Å; L406-F496 HydrophobicContact CD1-CD1 4.37Å; L406-F496 HydrophobicContact CD1-CD2 3.65Å; L406-F496 HydrophobicContact CD1-CE1 4.39Å; L406-F496 HydrophobicContact CD1-CE2 3.7Å; L406-F496 HydrophobicContact CD1-CG 4.01Å; L406-F496 HydrophobicContact CD1-CZ 4.07Å |
| 407 | G | 91.3 | Very high | 91.8 | Very high | 31 Ų | 31 | 40.2 Ų | 40.2 | 32% | 0.32 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.7 | -16.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A403 I405 F409 | A403-G407 PolarHBondContact O-N 3.41Å; I405-G407 VanDerWaalsContact C-N 3.32Å; I405-G407 PolarHBondContact O-N 3.07Å; G407-F409 VanDerWaalsContact C-N 3.32Å |
| 408 | E | 90.2 | Very high | 92.4 | Very high | 77 Ų | 77 | 37.9 Ų | 37.9 | 36% | 0.36 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -11.4 | 174 | -81 | -68.2 | 127 | 0 | 0 | 113.7 | I405 L406 K471 I501 | I405-E408 WeakPolarHBondContact O-CB 3.32Å; I405-E408 PolarHBondContact O-N 2.91Å; L406-E408 PolarHBondContact O-N 2.85Å; E408-K471 HydrophobicContact CB-CD 4.44Å; E408-K471 PolarHBondContact O-NZ 2.99Å; E408-K471 IonicContact OE2-NZ 2.86Å; E408-K471 PolarHBondContact OE2-NZ 3.25Å; E408-I501 HydrophobicContact CG-CD1 4.36Å |
| 409 | F | 93.2 | Very high | 92.8 | Very high | 12 Ų | 12 | 34.9 Ų | 34.9 | 5% | 0.053 | 18% | 0.182 | C | C | . | . | trans | -111.1 | 125.3 | -172.3 | -63.2 | -78.7 | 0 | 0 | 0 | 113.8 | I405 L406 G407 I414 L468 K471 C473 F496 | I405-F409 HydrophobicContact CG2-CE2 4.17Å; I405-F409 WeakPolarHBondContact O-CD2 3.42Å; I405-F409 VanDerWaalsContact O-CE2 3.29Å; I405-F409 WeakPolarHBondContact O-CE2 3.48Å; L406-F409 PolarHBondContact O-N 3.4Å; L406-F409 VanDerWaalsContact O-N 3.12Å; G407-F409 VanDerWaalsContact C-N 3.32Å; F409-I414 HydrophobicContact CB-CD1 3.94Å; F409-I414 HydrophobicContact CB-CG2 4.22Å; F409-I414 HydrophobicContact CD1-CD1 3.89Å; F409-I414 HydrophobicContact CG-CD1 4Å; F409-L468 HydrophobicContact CD1-CD1 4.18Å; F409-L468 HydrophobicContact CE1-CD1 3.86Å; F409-L468 HydrophobicContact CE1-CG 4.09Å; F409-L468 HydrophobicContact CZ-CD1 4.11Å; F409-L468 HydrophobicContact CZ-CG 3.95Å; F409-K471 HydrophobicContact CD1-CD 4.4Å; F409-K471 HydrophobicContact CE1-CB 4.12Å; F409-K471 HydrophobicContact CE1-CD 3.84Å; F409-K471 HydrophobicContact CE1-CG 4.21Å; F409-K471 HydrophobicContact CZ-CB 4.2Å; F409-K471 HydrophobicContact CZ-CD 4.17Å; F409-C473 HydrophobicContact CE2-CB 4.43Å; F409-C473 HydrophobicContact CZ-CB 3.74Å; F409-F496 HydrophobicContact CD2-CE1 4.17Å; F409-F496 HydrophobicContact CE2-CE1 4.12Å | ||
| 410 | D | 90.4 | Very high | 93 | Very high | 125 Ų | 125 | 34.9 Ų | 34.9 | 67% | 0.668 | 18% | 0.183 | S | C | * | . | trans | -125.1 | 95.3 | 165.4 | -162.1 | -4.2 | 0 | 0 | 0 | 109.2 | K416 | D410-K416 IonicContact OD1-NZ 2.66Å; D410-K416 PolarHBondContact OD1-NZ 2.94Å; D410-K416 IonicContact OD2-NZ 2.86Å; D410-K416 PolarHBondContact OD2-NZ 3.04Å | ||
| 411 | H | 96.8 | Very high | 93.1 | Very high | 38 Ų | 38 | 32.5 Ų | 32.5 | 18% | 0.176 | 17% | 0.17 | C | C | . | . | trans | -147.1 | 137.3 | -171.9 | -176.6 | -96.6 | 0 | 0 | 0 | 110.1 | H413 I414 T463 A464 | H411-H413 PolarHBondContact ND1-N 2.91Å; H411-H413 PolarHBondContact O-N 3.33Å; H411-H413 VanDerWaalsContact O-N 3.08Å; H411-I414 HydrophobicContact CB-CB 4.24Å; H411-I414 HydrophobicContact CB-CD1 3.84Å; H411-I414 HydrophobicContact CB-CG1 4.02Å; H411-I414 PolarHBondContact O-N 3.06Å; H411-I414 VanDerWaalsContact O-N 3.1Å; H411-T463 PolarHBondContact CE1-OG1 3.22Å; H411-A464 VanDerWaalsContact CE1-CA 3.46Å; H411-A464 WeakPolarHBondContact CE1-CA 3.27Å; H411-A464 PolarHBondContact CE1-N 2.97Å | ||
| 412 | P | 96.8 | Very high | 93 | Very high | 82 Ų | 82 | 31.7 Ų | 31.7 | 53% | 0.532 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -29.6 | -173.7 | 20.8 | -34.1 | 0 | 0 | 0 | 114.5 | K492 | P412-K492 WeakPolarHBondContact O-CE 3.48Å; P412-K492 PolarHBondContact O-NZ 3.09Å; P412-K492 VanDerWaalsContact O-NZ 3.08Å |
| 413 | H | 98.5 | Very high | 92.4 | Very high | 28 Ų | 28 | 35.9 Ų | 35.9 | 13% | 0.13 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 23.6 | -178.7 | -57.8 | -63.7 | 0 | 0 | 0 | 114 | H411 Q460 T463 A464 V491 K492 L493 | H411-H413 PolarHBondContact ND1-N 2.91Å; H411-H413 PolarHBondContact O-N 3.33Å; H411-H413 VanDerWaalsContact O-N 3.08Å; H413-Q460 HydrophobicContact CB-CB 4.44Å; H413-Q460 WeakPolarHBondContact CB-O 3.16Å; H413-Q460 WeakPolarHBondContact CE1-CG 3.32Å; H413-Q460 PolarHBondContact CE1-OE1 3.31Å; H413-T463 PolarHBondContact CD2-OG1 3.43Å; H413-A464 HydrophobicContact CB-CB 4.17Å; H413-A464 WeakPolarHBondContact O-CB 3.47Å; H413-V491 PolarHBondContact ND1-O 2.94Å; H413-K492 WeakPolarHBondContact O-CA 3.49Å; H413-L493 PolarHBondContact O-N 2.89Å |
| 414 | I | 98.5 | Very high | 91.9 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.015 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -119.5 | 142.6 | 165.7 | -61.6 | 174.9 | 0 | 0 | 0 | 107.2 | L406 F409 H411 K416 A464 L468 F496 | L406-I414 HydrophobicContact CD1-CG2 3.93Å; F409-I414 HydrophobicContact CB-CD1 3.94Å; F409-I414 HydrophobicContact CB-CG2 4.22Å; F409-I414 HydrophobicContact CD1-CD1 3.89Å; F409-I414 HydrophobicContact CG-CD1 4Å; H411-I414 HydrophobicContact CB-CB 4.24Å; H411-I414 HydrophobicContact CB-CD1 3.84Å; H411-I414 HydrophobicContact CB-CG1 4.02Å; H411-I414 PolarHBondContact O-N 3.06Å; H411-I414 VanDerWaalsContact O-N 3.1Å; I414-K416 PolarHBondContact O-N 3.18Å; I414-A464 HydrophobicContact CD1-CB 4.31Å; I414-A464 HydrophobicContact CG1-CB 3.73Å; I414-L468 HydrophobicContact CD1-CD1 3.48Å; I414-L468 VanDerWaalsContact CD1-CD1 3.48Å; I414-L468 HydrophobicContact CG1-CD1 4.45Å; I414-F496 HydrophobicContact CG2-CE2 3.99Å; I414-F496 HydrophobicContact CG2-CZ 3.8Å |
| 415 | I | 97.6 | Very high | 91.6 | Very high | 6 Ų | 6 | 38.2 Ų | 38.2 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 123.7 | 173.5 | -73.7 | -69 | 0 | 0 | 0 | 109.6 | L406 M430 E431 A433 L484 K492 L493 A494 | L406-I415 WeakPolarHBondContact CD1-O 3.05Å; I415-M430 HydrophobicContact CG2-CB 4.1Å; I415-E431 HydrophobicContact CG2-CB 4.34Å; I415-A433 HydrophobicContact CD1-CB 4.27Å; I415-L484 HydrophobicContact CD1-CB 4.32Å; I415-L484 HydrophobicContact CD1-CD1 3.97Å; I415-L484 HydrophobicContact CG1-CD1 4.1Å; I415-K492 HydrophobicContact CD1-CB 3.9Å; I415-K492 HydrophobicContact CD1-CD 3.92Å; I415-K492 HydrophobicContact CD1-CG 4.49Å; I415-K492 HydrophobicContact CG1-CB 3.97Å; I415-L493 PolarHBondContact N-O 2.93Å; I415-A494 HydrophobicContact CB-CB 4.41Å; I415-A494 HydrophobicContact CG1-CB 3.78Å |
| 416 | K | 95.6 | Very high | 91.5 | Very high | 73 Ų | 73 | 38.1 Ų | 38.1 | 32% | 0.317 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -77.9 | 126.9 | -176.7 | -168.5 | 158.1 | -166.2 | 156.1 | 0 | 112 | D410 I414 F418 M430 E431 | D410-K416 IonicContact OD1-NZ 2.66Å; D410-K416 PolarHBondContact OD1-NZ 2.94Å; D410-K416 IonicContact OD2-NZ 2.86Å; D410-K416 PolarHBondContact OD2-NZ 3.04Å; I414-K416 PolarHBondContact O-N 3.18Å; K416-F418 HydrophobicContact CB-CE1 4.33Å; K416-F418 HydrophobicContact CD-CE1 4.19Å; K416-F418 HydrophobicContact CG-CD1 4.27Å; K416-F418 HydrophobicContact CG-CE1 4.16Å; K416-M430 CarbonylContact O-C 3.57Å; K416-M430 WeakPolarHBondContact O-CA 3.43Å; K416-E431 HydrophobicContact CB-CB 4.18Å; K416-E431 PolarHBondContact N-OE2 3.44Å; K416-E431 PolarHBondContact O-N 2.95Å |
| 417 | L | 95 | Very high | 91.5 | Very high | 12 Ų | 12 | 39.4 Ų | 39.4 | 6% | 0.063 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 122.6 | 161 | -173.8 | 67.5 | 0 | 0 | 0 | 108.7 | L296 A403 L406 G419 V420 L428 M430 | L296-L417 HydrophobicContact CD1-CD2 4.06Å; A403-L417 HydrophobicContact CB-CD2 4.44Å; A403-L417 VanDerWaalsContact O-CD2 3.25Å; A403-L417 WeakPolarHBondContact O-CD2 3.23Å; L406-L417 HydrophobicContact CD2-CB 4.08Å; L406-L417 HydrophobicContact CG-CB 4Å; L417-G419 WeakPolarHBondContact CD1-O 3.47Å; L417-V420 HydrophobicContact CD2-CG2 4.47Å; L417-L428 HydrophobicContact CD1-CB 4.16Å; L417-M430 HydrophobicContact CD1-CG 4.02Å |
| 418 | F | 91.9 | Very high | 91.7 | Very high | 45 Ų | 45 | 38 Ų | 38 | 20% | 0.197 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | -29.8 | 170.9 | -61.7 | -50.5 | 0 | 0 | 0 | 112.1 | I298 Y322 L380 V382 K416 V429 E431 | I298-F418 HydrophobicContact CD1-CB 4.42Å; Y322-F418 HydrophobicContact CD1-CB 4.46Å; Y322-F418 HydrophobicContact CE1-CB 4.2Å; L380-F418 HydrophobicContact CD2-CD2 4.21Å; L380-F418 HydrophobicContact CD2-CE1 4.14Å; L380-F418 HydrophobicContact CD2-CE2 3.73Å; L380-F418 HydrophobicContact CD2-CZ 3.71Å; L380-F418 HydrophobicContact CG-CE2 4.3Å; L380-F418 HydrophobicContact CG-CZ 4.49Å; V382-F418 HydrophobicContact CG1-CD2 3.68Å; V382-F418 HydrophobicContact CG1-CE2 3.83Å; K416-F418 HydrophobicContact CB-CE1 4.33Å; K416-F418 HydrophobicContact CD-CE1 4.19Å; K416-F418 HydrophobicContact CG-CD1 4.27Å; K416-F418 HydrophobicContact CG-CE1 4.16Å; F418-V429 WeakPolarHBondContact CA-O 3.41Å; F418-V429 HydrophobicContact CB-CG1 4.39Å; F418-V429 WeakPolarHBondContact CB-O 3.49Å; F418-V429 PolarHBondContact N-O 3.04Å; F418-E431 HydrophobicContact CE2-CB 4.18Å; F418-E431 HydrophobicContact CZ-CB 4.05Å; F418-E431 HydrophobicContact CZ-CG 4.47Å |
| 419 | G | 91.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.1 | -170.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L296 I298 L417 V429 | L296-G419 CarbonylContact O-C 3.53Å; L296-G419 WeakPolarHBondContact O-CA 3.35Å; I298-G419 VanDerWaalsContact CD1-CA 3.5Å; L417-G419 WeakPolarHBondContact CD1-O 3.47Å; G419-V429 PolarHBondContact N-O 3.44Å; G419-V429 PolarHBondContact O-N 3.13Å |
| 420 | V | 92.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 135.3 | -176.9 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | L293 L296 E297 I298 L400 A403 L417 I426 W427 L428 | L293-V420 HydrophobicContact CD2-CG2 4.1Å; L296-V420 PolarHBondContact O-N 3.04Å; E297-V420 WeakPolarHBondContact CA-O 3.46Å; I298-V420 PolarHBondContact N-O 2.72Å; L400-V420 HydrophobicContact CD2-CG1 4.45Å; A403-V420 HydrophobicContact CB-CG2 3.9Å; L417-V420 HydrophobicContact CD2-CG2 4.47Å; V420-I426 HydrophobicContact CG1-CG2 4Å; V420-W427 CarbonylContact C-O 3.6Å; V420-W427 VanDerWaalsContact CA-O 3.32Å; V420-W427 WeakPolarHBondContact CA-O 3.2Å; V420-L428 HydrophobicContact CG1-CD2 4.1Å; V420-L428 HydrophobicContact CG2-CD2 3.92Å |
| 421 | C | 90.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 109.7 | 164 | -50.4 | 0 | 0 | 0 | 0 | 107.2 | I298 W427 | I298-C421 PolarHBondContact O-SG 2.94Å; C421-W427 HydrophobicContact CB-CB 4.02Å; C421-W427 PolarHBondContact N-O 3.27Å; C421-W427 PolarHBondContact O-N 3.48Å; C421-W427 VanDerWaalsContact O-N 3.11Å |
| 422 | S | 83.5 | Confident | 92.3 | Very high | 52 Ų | 52 | 31.1 Ų | 31.1 | 36% | 0.364 | 16% | 0.161 | S | C | . | . | trans | -75.7 | -21.6 | -171 | -50.3 | 0 | 0 | 0 | 0 | 114.2 | E297 | E297-S422 VanDerWaalsContact OE1-CB 3.24Å; E297-S422 WeakPolarHBondContact OE1-CB 3.39Å; E297-S422 PolarHBondContact OE1-OG 3.14Å | ||
| 423 | D | 80 | Confident | 92.3 | Very high | 91 Ų | 91 | 27.6 Ų | 27.6 | 49% | 0.487 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -59.6 | 148.6 | 173.9 | -45.3 | -57.3 | 0 | 0 | 0 | 110.5 | R300 P425 I426 | R300-D423 PolarHBondContact NH2-O 2.98Å; D423-P425 CarbonylContact O-C 3.55Å; D423-P425 VanDerWaalsContact O-C 3.27Å; D423-I426 WeakPolarHBondContact O-CA 3.27Å; D423-I426 PolarHBondContact O-N 3.19Å |
| 424 | E | 79.8 | Confident | 92.2 | Very high | 75 Ų | 75 | 29.8 Ų | 29.8 | 35% | 0.35 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -77.9 | 145 | 176.8 | -72.4 | -77.2 | -150.1 | 0 | 0 | 112.4 | R300 L389 R396 I426 | R300-E424 PolarHBondContact NH1-O 2.65Å; R300-E424 VanDerWaalsContact NH2-C 3.33Å; R300-E424 PolarHBondContact NH2-O 2.82Å; L389-E424 HydrophobicContact CD2-CB 4.15Å; R396-E424 WeakPolarHBondContact CD-OE1 3.5Å; R396-E424 IonicContact CZ-OE1 2.73Å; R396-E424 IonicContact NE-OE1 3.27Å; R396-E424 IonicContact NH1-OE1 2.69Å; R396-E424 PolarHBondContact NH1-OE1 3.31Å; E424-I426 PolarHBondContact OE2-N 2.91Å |
| 425 | P | 84.3 | Confident | 92.1 | Very high | 34 Ų | 34 | 33 Ų | 33 | 22% | 0.221 | 17% | 0.172 | C | C | . | . | S | Bend | cis | -65.7 | 130.8 | -12.4 | 24.8 | -30.5 | 0 | 0 | 0 | 111.4 | R300 C387 L389 D423 W427 | R300-P425 PolarHBondContact NH2-O 3.5Å; C387-P425 WeakPolarHBondContact O-CB 3.45Å; L389-P425 HydrophobicContact CD2-CB 4.01Å; L389-P425 HydrophobicContact CD2-CG 4.36Å; L389-P425 HydrophobicContact CG-CB 4.11Å; L389-P425 HydrophobicContact CG-CG 4.39Å; D423-P425 CarbonylContact O-C 3.55Å; D423-P425 VanDerWaalsContact O-C 3.27Å; P425-W427 PolarHBondContact O-N 3.32Å; P425-W427 PolarHBondContact O-NE1 2.94Å |
| 426 | I | 89.5 | Confident | 92 | Very high | 12 Ų | 12 | 34.3 Ų | 34.3 | 6% | 0.062 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -56.8 | 135.6 | -176.6 | -60.9 | 160.8 | 0 | 0 | 0 | 111.5 | C387 R396 F399 L400 V420 D423 E424 | C387-I426 HydrophobicContact CB-CB 4.31Å; C387-I426 PolarHBondContact N-O 2.72Å; R396-I426 HydrophobicContact CG-CD1 4.4Å; F399-I426 HydrophobicContact CD1-CB 4.31Å; F399-I426 HydrophobicContact CD1-CG2 3.99Å; F399-I426 HydrophobicContact CE1-CB 4.21Å; F399-I426 HydrophobicContact CE1-CG2 3.9Å; F399-I426 WeakPolarHBondContact CE1-O 3.31Å; L400-I426 HydrophobicContact CD1-CD1 4.18Å; L400-I426 HydrophobicContact CD2-CD1 4.34Å; L400-I426 HydrophobicContact CD2-CG2 3.97Å; L400-I426 HydrophobicContact CG-CD1 4.29Å; V420-I426 HydrophobicContact CG1-CG2 4Å; D423-I426 WeakPolarHBondContact O-CA 3.27Å; D423-I426 PolarHBondContact O-N 3.19Å; E424-I426 PolarHBondContact OE2-N 2.91Å |
| 427 | W | 94.1 | Very high | 92 | Very high | 31 Ų | 31 | 34.4 Ų | 34.4 | 12% | 0.117 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 134.8 | 178.7 | -63.5 | -5.6 | 0 | 0 | 0 | 112.8 | R300 V303 L305 V384 K385 T386 V420 C421 P425 | R300-W427 HydrophobicContact CG-CE3 4.36Å; R300-W427 HydrophobicContact CG-CH2 3.91Å; R300-W427 HydrophobicContact CG-CZ3 3.78Å; V303-W427 HydrophobicContact CB-CE3 4.42Å; V303-W427 HydrophobicContact CB-CZ3 4.13Å; V303-W427 HydrophobicContact CG1-CE3 4.23Å; V303-W427 HydrophobicContact CG1-CZ3 4.08Å; L305-W427 HydrophobicContact CD1-CH2 3.99Å; L305-W427 HydrophobicContact CD1-CZ2 3.75Å; L305-W427 HydrophobicContact CD2-CE3 4.44Å; L305-W427 HydrophobicContact CD2-CH2 4.26Å; L305-W427 HydrophobicContact CD2-CZ3 4.18Å; L305-W427 HydrophobicContact CG-CH2 3.96Å; L305-W427 HydrophobicContact CG-CZ2 4.24Å; L305-W427 HydrophobicContact CG-CZ3 4.35Å; V384-W427 HydrophobicContact CG1-CB 3.73Å; V384-W427 HydrophobicContact CG1-CD2 4.05Å; V384-W427 HydrophobicContact CG1-CE3 4.18Å; V384-W427 HydrophobicContact CG1-CG 3.88Å; K385-W427 CarbonylContact O-C 3.57Å; K385-W427 WeakPolarHBondContact O-CA 3.12Å; T386-W427 HydrophobicContact CG2-CG 4.3Å; V420-W427 CarbonylContact C-O 3.6Å; V420-W427 VanDerWaalsContact CA-O 3.32Å; V420-W427 WeakPolarHBondContact CA-O 3.2Å; C421-W427 HydrophobicContact CB-CB 4.02Å; C421-W427 PolarHBondContact N-O 3.27Å; C421-W427 PolarHBondContact O-N 3.48Å; C421-W427 VanDerWaalsContact O-N 3.11Å; P425-W427 PolarHBondContact O-N 3.32Å; P425-W427 PolarHBondContact O-NE1 2.94Å |
| 428 | L | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 115.8 | 167.8 | -46.9 | -172 | 0 | 0 | 0 | 109.6 | V384 K385 F399 E402 A403 L417 V420 M430 | V384-L428 VanDerWaalsContact CA-O 3.31Å; V384-L428 WeakPolarHBondContact CA-O 3.25Å; K385-L428 HydrophobicContact CB-CB 4.08Å; K385-L428 HydrophobicContact CB-CG 4.37Å; K385-L428 HydrophobicContact CD-CD1 4.39Å; K385-L428 PolarHBondContact N-O 3.47Å; K385-L428 PolarHBondContact O-N 2.74Å; F399-L428 HydrophobicContact CD1-CD1 4.49Å; F399-L428 HydrophobicContact CD1-CD2 4.15Å; F399-L428 HydrophobicContact CD1-CG 4.23Å; F399-L428 HydrophobicContact CE1-CD1 4.17Å; F399-L428 HydrophobicContact CE1-CD2 3.75Å; F399-L428 HydrophobicContact CE1-CG 3.57Å; F399-L428 HydrophobicContact CE2-CD1 4.41Å; F399-L428 HydrophobicContact CE2-CG 4.46Å; F399-L428 HydrophobicContact CZ-CD1 4.13Å; F399-L428 HydrophobicContact CZ-CD2 4.4Å; F399-L428 HydrophobicContact CZ-CG 3.71Å; E402-L428 HydrophobicContact CG-CD1 4.45Å; A403-L428 HydrophobicContact CB-CD1 4.14Å; A403-L428 HydrophobicContact CB-CD2 3.55Å; A403-L428 HydrophobicContact CB-CG 4.48Å; L417-L428 HydrophobicContact CD1-CB 4.16Å; V420-L428 HydrophobicContact CG1-CD2 4.1Å; V420-L428 HydrophobicContact CG2-CD2 3.92Å; L428-M430 HydrophobicContact CB-CG 4.41Å |
| 429 | V | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 111.8 | -177 | -172 | 0 | 0 | 0 | 0 | 109 | I298 V303 Y322 V382 F418 G419 | I298-V429 HydrophobicContact CD1-CB 3.98Å; I298-V429 HydrophobicContact CD1-CG1 4.25Å; I298-V429 HydrophobicContact CD1-CG2 4.13Å; V303-V429 HydrophobicContact CG2-CG1 4.36Å; V303-V429 HydrophobicContact CG2-CG2 3.97Å; Y322-V429 HydrophobicContact CD1-CG1 4.3Å; Y322-V429 HydrophobicContact CG-CG1 4.47Å; V382-V429 HydrophobicContact CB-CG1 3.98Å; V382-V429 HydrophobicContact CG1-CG1 3.81Å; V382-V429 HydrophobicContact CG2-CG1 4.16Å; F418-V429 WeakPolarHBondContact CA-O 3.41Å; F418-V429 HydrophobicContact CB-CG1 4.39Å; F418-V429 WeakPolarHBondContact CB-O 3.49Å; F418-V429 PolarHBondContact N-O 3.04Å; G419-V429 PolarHBondContact N-O 3.44Å; G419-V429 PolarHBondContact O-N 3.13Å |
| 430 | M | 96.1 | Very high | 92.7 | Very high | 21 Ų | 21 | 38.7 Ų | 38.7 | 10% | 0.103 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 166.6 | -167.9 | -54.6 | 178.3 | -61.1 | 0 | 0 | 112.3 | V382 A383 K385 L406 I415 K416 L417 L428 Y432 | V382-M430 CarbonylContact C-O 3.44Å; V382-M430 VanDerWaalsContact CA-O 3.23Å; V382-M430 WeakPolarHBondContact CA-O 3.35Å; V382-M430 WeakPolarHBondContact CB-O 3.34Å; A383-M430 HydrophobicContact CB-CB 4.41Å; A383-M430 HydrophobicContact CB-CE 4.14Å; A383-M430 PolarHBondContact N-O 3.05Å; A383-M430 WeakPolarHBondContact O-CA 3.47Å; A383-M430 PolarHBondContact O-N 3.26Å; K385-M430 HydrophobicContact CB-CE 3.86Å; L406-M430 HydrophobicContact CD2-SD 4.27Å; I415-M430 HydrophobicContact CG2-CB 4.1Å; K416-M430 CarbonylContact O-C 3.57Å; K416-M430 WeakPolarHBondContact O-CA 3.43Å; L417-M430 HydrophobicContact CD1-CG 4.02Å; L428-M430 HydrophobicContact CB-CG 4.41Å; M430-Y432 PolarHBondContact O-N 3.45Å |
| 431 | E | 95.6 | Very high | 93 | Very high | 40 Ų | 40 | 40.1 Ų | 40.1 | 19% | 0.187 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 125.7 | 170.1 | -174.6 | 175.7 | -163.4 | 0 | 0 | 112.1 | I415 K416 F418 K492 | I415-E431 HydrophobicContact CG2-CB 4.34Å; K416-E431 HydrophobicContact CB-CB 4.18Å; K416-E431 PolarHBondContact N-OE2 3.44Å; K416-E431 PolarHBondContact O-N 2.95Å; F418-E431 HydrophobicContact CE2-CB 4.18Å; F418-E431 HydrophobicContact CZ-CB 4.05Å; F418-E431 HydrophobicContact CZ-CG 4.47Å; E431-K492 VanDerWaalsContact OE1-CE 3.29Å; E431-K492 WeakPolarHBondContact OE1-CE 3.3Å; E431-K492 IonicContact OE1-NZ 2.66Å; E431-K492 PolarHBondContact OE1-NZ 3.13Å; E431-K492 WeakPolarHBondContact OE2-CD 3.49Å; E431-K492 WeakPolarHBondContact OE2-CE 3.31Å; E431-K492 IonicContact OE2-NZ 3.38Å; E431-K492 PolarHBondContact OE2-NZ 2.8Å |
| 432 | Y | 96.8 | Very high | 93.3 | Very high | 48 Ų | 48 | 40.1 Ų | 40.1 | 19% | 0.188 | 21% | 0.211 | C | C | . | . | trans | -76.3 | 136.7 | 171.8 | -177.7 | -123.4 | 0 | 0 | 0 | 111 | L309 K319 L381 M430 P434 | L309-Y432 HydrophobicContact CD1-CD2 4.12Å; L309-Y432 HydrophobicContact CD1-CE2 3.78Å; L309-Y432 HydrophobicContact CD2-CE2 4.1Å; K319-Y432 HydrophobicContact CB-CE2 4.37Å; K319-Y432 HydrophobicContact CD-CE1 4.35Å; K319-Y432 HydrophobicContact CD-CE2 4.39Å; K319-Y432 HydrophobicContact CG-CE2 4.23Å; L381-Y432 HydrophobicContact CB-CD1 4.04Å; L381-Y432 HydrophobicContact CD1-CD1 4.28Å; M430-Y432 PolarHBondContact O-N 3.45Å; Y432-P434 HydrophobicContact CD1-CB 4.48Å; Y432-P434 HydrophobicContact CD1-CG 3.87Å; Y432-P434 HydrophobicContact CE1-CB 3.96Å; Y432-P434 HydrophobicContact CE1-CG 3.84Å; Y432-P434 WeakPolarHBondContact O-CD 3.46Å | ||
| 433 | A | 96.8 | Very high | 94 | Very high | 7 Ų | 7 | 40.7 Ų | 40.7 | 6% | 0.058 | 21% | 0.21 | C | C | . | . | trans | -114.5 | 96.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | I415 L435 G436 L484 V485 | I415-A433 HydrophobicContact CD1-CB 4.27Å; A433-L435 PolarHBondContact O-N 3.29Å; A433-G436 PolarHBondContact O-N 3.14Å; A433-G436 VanDerWaalsContact O-N 3.12Å; A433-L484 HydrophobicContact CB-CB 3.52Å; A433-L484 HydrophobicContact CB-CD1 3.97Å; A433-L484 HydrophobicContact CB-CG 4.38Å; A433-V485 CarbonylContact C-O 3.52Å | ||
| 434 | P | 95.5 | Very high | 94.8 | Very high | 74 Ų | 74 | 40.2 Ų | 40.2 | 48% | 0.481 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -19.7 | -167.4 | -27.2 | 34.6 | 0 | 0 | 0 | 116.7 | Y432 | Y432-P434 HydrophobicContact CD1-CB 4.48Å; Y432-P434 HydrophobicContact CD1-CG 3.87Å; Y432-P434 HydrophobicContact CE1-CB 3.96Å; Y432-P434 HydrophobicContact CE1-CG 3.84Å; Y432-P434 WeakPolarHBondContact O-CD 3.46Å |
| 435 | L | 96.6 | Very high | 95.5 | Very high | 72 Ų | 72 | 39.8 Ų | 39.8 | 38% | 0.377 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 9 | -177.9 | -60.6 | 172.7 | 0 | 0 | 0 | 113 | A433 Y441 V485 P488 | A433-L435 PolarHBondContact O-N 3.29Å; L435-Y441 HydrophobicContact CB-CD2 4.09Å; L435-Y441 HydrophobicContact CB-CE2 4.23Å; L435-Y441 HydrophobicContact CD1-CE2 3.99Å; L435-Y441 HydrophobicContact CG-CE2 4.5Å; L435-V485 HydrophobicContact CB-CB 3.73Å; L435-V485 HydrophobicContact CB-CG1 3.78Å; L435-V485 WeakPolarHBondContact CB-O 3.46Å; L435-V485 HydrophobicContact CD1-CG1 3.91Å; L435-V485 HydrophobicContact CG-CG1 4.49Å; L435-V485 PolarHBondContact N-O 2.99Å; L435-V485 VanDerWaalsContact N-O 3.12Å; L435-P488 HydrophobicContact CD1-CG 3.95Å |
| 436 | G | 95.8 | Very high | 95.9 | Very high | 32 Ų | 32 | 42.9 Ų | 42.9 | 33% | 0.33 | 23% | 0.227 | S | C | . | . | trans | 70.9 | -156.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A433 L484 V485 | A433-G436 PolarHBondContact O-N 3.14Å; A433-G436 VanDerWaalsContact O-N 3.12Å; G436-L484 CarbonylContact O-C 3.55Å; G436-L484 VanDerWaalsContact O-CA 3.31Å; G436-L484 WeakPolarHBondContact O-CA 3.44Å; G436-V485 PolarHBondContact O-N 3.14Å | ||
| 437 | E | 96.5 | Very high | 96 | Very high | 75 Ų | 75 | 49.7 Ų | 49.7 | 35% | 0.35 | 26% | 0.264 | S | S | . | . | B | Isolated β-bridge | trans | -66.2 | 134.6 | 178.7 | -63.4 | 176.2 | -162.2 | 0 | 0 | 112.2 | R439 H440 Y441 L484 | E437-R439 VanDerWaalsContact C-N 3.27Å; E437-R439 PolarHBondContact O-N 3.4Å; E437-H440 HydrophobicContact CB-CB 4.48Å; E437-H440 PolarHBondContact O-N 3.39Å; E437-H440 VanDerWaalsContact O-N 3.09Å; E437-H440 IonicContact OE2-CE1 2.68Å; E437-H440 PolarHBondContact OE2-CE1 3.48Å; E437-H440 IonicContact OE2-ND1 2.71Å; E437-H440 PolarHBondContact OE2-ND1 2.77Å; E437-Y441 PolarHBondContact O-N 3.23Å; E437-L484 HydrophobicContact CG-CD2 4.18Å |
| 438 | L | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.8 | -39.2 | 177.3 | 177.2 | 61 | 0 | 0 | 0 | 111.5 | H440 Y441 L442 Y457 I483 V485 V491 I547 | L438-H440 VanDerWaalsContact C-N 3.33Å; L438-H440 PolarHBondContact O-N 2.87Å; L438-Y441 HydrophobicContact CD1-CD1 4.35Å; L438-Y441 PolarHBondContact O-N 3.32Å; L438-L442 HydrophobicContact CD1-CD1 4.24Å; L438-L442 HydrophobicContact CD1-CD2 4.07Å; L438-L442 HydrophobicContact CD1-CG 3.79Å; L438-L442 HydrophobicContact CG-CD1 3.93Å; L438-L442 HydrophobicContact CG-CG 4.02Å; L438-L442 WeakPolarHBondContact O-CB 3.42Å; L438-L442 WeakPolarHBondContact O-CG 3.25Å; L438-L442 PolarHBondContact O-N 3.35Å; L438-Y457 HydrophobicContact CD1-CD2 3.99Å; L438-Y457 HydrophobicContact CD1-CE2 4.09Å; L438-I483 HydrophobicContact CB-CB 4.09Å; L438-I483 HydrophobicContact CB-CG2 3.86Å; L438-I483 WeakPolarHBondContact CB-O 3.23Å; L438-I483 HydrophobicContact CD2-CB 4.17Å; L438-I483 HydrophobicContact CD2-CD1 4.45Å; L438-I483 HydrophobicContact CD2-CG2 3.6Å; L438-I483 HydrophobicContact CG-CG2 4.37Å; L438-I483 PolarHBondContact N-O 3.46Å; L438-V485 HydrophobicContact CB-CG2 3.9Å; L438-V485 HydrophobicContact CD1-CG2 3.8Å; L438-V485 HydrophobicContact CG-CG2 4.47Å; L438-V491 HydrophobicContact CD1-CG1 4Å; L438-V491 HydrophobicContact CD2-CG1 4.16Å; L438-I547 HydrophobicContact CD2-CD1 4.04Å; L438-I547 HydrophobicContact CD2-CG1 3.97Å |
| 439 | R | 97.8 | Very high | 96 | Very high | 43 Ų | 43 | 55.1 Ų | 55.1 | 16% | 0.162 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.8 | -43.6 | 176.4 | -171.5 | -178.9 | 171.1 | -75.8 | -19.8 | 112.6 | E437 I443 A480 G551 | E437-R439 VanDerWaalsContact C-N 3.27Å; E437-R439 PolarHBondContact O-N 3.4Å; R439-I443 HydrophobicContact CG-CD1 4.39Å; R439-I443 WeakPolarHBondContact O-CD1 3.39Å; R439-I443 WeakPolarHBondContact O-CG1 3.46Å; R439-I443 PolarHBondContact O-N 3.42Å; R439-A480 HydrophobicContact CB-CB 4.01Å; R439-A480 PolarHBondContact N-O 2.78Å; R439-G551 VanDerWaalsContact CZ-O 3.25Å; R439-G551 PolarHBondContact NE-O 2.94Å; R439-G551 PolarHBondContact NH2-O 3.31Å |
| 440 | H | 97.1 | Very high | 95.8 | Very high | 105 Ų | 105 | 58.7 Ų | 58.7 | 49% | 0.486 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -72.9 | -39.5 | 178.6 | -71.5 | 113.9 | 0 | 0 | 0 | 111.5 | E437 L438 I443 A444 | E437-H440 HydrophobicContact CB-CB 4.48Å; E437-H440 PolarHBondContact O-N 3.39Å; E437-H440 VanDerWaalsContact O-N 3.09Å; E437-H440 IonicContact OE2-CE1 2.68Å; E437-H440 PolarHBondContact OE2-CE1 3.48Å; E437-H440 IonicContact OE2-ND1 2.71Å; E437-H440 PolarHBondContact OE2-ND1 2.77Å; L438-H440 VanDerWaalsContact C-N 3.33Å; L438-H440 PolarHBondContact O-N 2.87Å; H440-I443 PolarHBondContact O-N 3.03Å; H440-A444 WeakPolarHBondContact O-CB 3.44Å; H440-A444 PolarHBondContact O-N 3.32Å |
| 441 | Y | 98.1 | Very high | 95.6 | Very high | 30 Ų | 30 | 59.4 Ų | 59.4 | 12% | 0.118 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 174.3 | -176.1 | -95 | 0 | 0 | 0 | 112.8 | L435 E437 L438 I443 A444 K445 L449 V485 | L435-Y441 HydrophobicContact CB-CD2 4.09Å; L435-Y441 HydrophobicContact CB-CE2 4.23Å; L435-Y441 HydrophobicContact CD1-CE2 3.99Å; L435-Y441 HydrophobicContact CG-CE2 4.5Å; E437-Y441 PolarHBondContact O-N 3.23Å; L438-Y441 HydrophobicContact CD1-CD1 4.35Å; L438-Y441 PolarHBondContact O-N 3.32Å; Y441-I443 VanDerWaalsContact C-N 3.32Å; Y441-I443 PolarHBondContact O-N 2.73Å; Y441-A444 PolarHBondContact O-N 3.32Å; Y441-K445 HydrophobicContact CD2-CG 4.35Å; Y441-K445 HydrophobicContact CE1-CB 4.49Å; Y441-K445 HydrophobicContact CE1-CG 4.39Å; Y441-K445 HydrophobicContact CE2-CG 4.02Å; Y441-K445 VanDerWaalsContact O-CB 3.3Å; Y441-K445 WeakPolarHBondContact O-CB 3.48Å; Y441-K445 PolarHBondContact O-N 2.88Å; Y441-L449 HydrophobicContact CE1-CD2 4.21Å; Y441-V485 HydrophobicContact CD1-CG1 4.37Å; Y441-V485 HydrophobicContact CD1-CG2 4.06Å; Y441-V485 HydrophobicContact CD2-CG1 4.34Å; Y441-V485 HydrophobicContact CD2-CG2 4.47Å; Y441-V485 HydrophobicContact CE1-CG1 4.36Å; Y441-V485 HydrophobicContact CE2-CG1 4.34Å; Y441-V485 HydrophobicContact CG-CB 4.44Å; Y441-V485 HydrophobicContact CG-CG1 4.36Å; Y441-V485 HydrophobicContact CG-CG2 3.88Å |
| 442 | L | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.5 | -42.6 | 177.8 | -74.1 | 168.6 | 0 | 0 | 0 | 112.4 | L438 K445 Q446 L449 L454 I547 | L438-L442 HydrophobicContact CD1-CD1 4.24Å; L438-L442 HydrophobicContact CD1-CD2 4.07Å; L438-L442 HydrophobicContact CD1-CG 3.79Å; L438-L442 HydrophobicContact CG-CD1 3.93Å; L438-L442 HydrophobicContact CG-CG 4.02Å; L438-L442 WeakPolarHBondContact O-CB 3.42Å; L438-L442 WeakPolarHBondContact O-CG 3.25Å; L438-L442 PolarHBondContact O-N 3.35Å; L442-K445 CarbonylContact O-C 3.58Å; L442-Q446 VanDerWaalsContact O-CA 3.29Å; L442-Q446 WeakPolarHBondContact O-CA 3.41Å; L442-Q446 PolarHBondContact O-N 2.8Å; L442-L449 HydrophobicContact CD2-CD1 3.83Å; L442-L454 HydrophobicContact CD2-CD2 3.51Å; L442-I547 HydrophobicContact CD1-CG1 4.3Å |
| 443 | I | 96.9 | Very high | 95.3 | Very high | 65 Ų | 65 | 59.3 Ų | 59.3 | 33% | 0.333 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -71.1 | -48.8 | 179.6 | -64.2 | 165.3 | 0 | 0 | 0 | 110.1 | R439 H440 Y441 K445 Q446 K550 | R439-I443 HydrophobicContact CG-CD1 4.39Å; R439-I443 WeakPolarHBondContact O-CD1 3.39Å; R439-I443 WeakPolarHBondContact O-CG1 3.46Å; R439-I443 PolarHBondContact O-N 3.42Å; H440-I443 PolarHBondContact O-N 3.03Å; Y441-I443 VanDerWaalsContact C-N 3.32Å; Y441-I443 PolarHBondContact O-N 2.73Å; I443-K445 PolarHBondContact O-N 2.76Å; I443-Q446 WeakPolarHBondContact O-CB 3.32Å; I443-Q446 WeakPolarHBondContact O-CG 3.4Å; I443-Q446 PolarHBondContact O-N 2.97Å; I443-K550 VanDerWaalsContact CG1-O 3.32Å; I443-K550 WeakPolarHBondContact CG1-O 3.09Å |
| 444 | A | 96.9 | Very high | 95.2 | Very high | 80 Ų | 80 | 59.2 Ų | 59.2 | 66% | 0.661 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.9 | -32.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | H440 Y441 | H440-A444 WeakPolarHBondContact O-CB 3.44Å; H440-A444 PolarHBondContact O-N 3.32Å; Y441-A444 PolarHBondContact O-N 3.32Å |
| 445 | K | 95.5 | Very high | 95.2 | Very high | 66 Ų | 66 | 55.7 Ų | 55.7 | 29% | 0.287 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 20.3 | -178.9 | -64.5 | -65.8 | -174.8 | 174.7 | 0 | 113.8 | Y441 L442 I443 N447 E448 L449 | Y441-K445 HydrophobicContact CD2-CG 4.35Å; Y441-K445 HydrophobicContact CE1-CB 4.49Å; Y441-K445 HydrophobicContact CE1-CG 4.39Å; Y441-K445 HydrophobicContact CE2-CG 4.02Å; Y441-K445 VanDerWaalsContact O-CB 3.3Å; Y441-K445 WeakPolarHBondContact O-CB 3.48Å; Y441-K445 PolarHBondContact O-N 2.88Å; L442-K445 CarbonylContact O-C 3.58Å; I443-K445 PolarHBondContact O-N 2.76Å; K445-N447 PolarHBondContact O-N 3.38Å; K445-E448 HydrophobicContact CD-CB 4.41Å; K445-E448 HydrophobicContact CD-CG 4.41Å; K445-E448 WeakPolarHBondContact CD-OE1 3.21Å; K445-E448 WeakPolarHBondContact CD-OE2 3.29Å; K445-E448 IonicContact NZ-OE1 2.69Å; K445-E448 PolarHBondContact NZ-OE1 2.98Å; K445-E448 IonicContact NZ-OE2 2.69Å; K445-E448 PolarHBondContact NZ-OE2 3.47Å; K445-E448 PolarHBondContact O-N 2.84Å; K445-L449 HydrophobicContact CB-CD1 3.86Å; K445-L449 HydrophobicContact CB-CG 3.94Å; K445-L449 VanDerWaalsContact O-CG 3.32Å; K445-L449 WeakPolarHBondContact O-CG 3.14Å; K445-L449 PolarHBondContact O-N 2.79Å; K445-L449 VanDerWaalsContact O-N 3.12Å |
| 446 | Q | 92.3 | Very high | 95.2 | Very high | 99 Ų | 99 | 53.8 Ų | 53.8 | 46% | 0.463 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -32.2 | -172.7 | 64 | 176 | -15.3 | 0 | 0 | 114.3 | L442 I443 K550 | L442-Q446 VanDerWaalsContact O-CA 3.29Å; L442-Q446 WeakPolarHBondContact O-CA 3.41Å; L442-Q446 PolarHBondContact O-N 2.8Å; I443-Q446 WeakPolarHBondContact O-CB 3.32Å; I443-Q446 WeakPolarHBondContact O-CG 3.4Å; I443-Q446 PolarHBondContact O-N 2.97Å; Q446-K550 HydrophobicContact CB-CB 4.42Å; Q446-K550 HydrophobicContact CB-CD 4.14Å; Q446-K550 WeakPolarHBondContact O-CD 3.33Å; Q446-K550 PolarHBondContact O-NZ 2.78Å |
| 447 | N | 91.9 | Very high | 95.3 | Very high | 156 Ų | 156 | 52.2 Ų | 52.2 | 83% | 0.834 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -20.1 | -179.8 | -66.6 | -17.1 | 0 | 0 | 0 | 113.7 | K445 | K445-N447 PolarHBondContact O-N 3.38Š|
| 448 | E | 94.2 | Very high | 95.3 | Very high | 130 Ų | 130 | 48.7 Ų | 48.7 | 61% | 0.607 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -22.2 | -178.2 | -66.3 | 170.5 | -122.9 | 0 | 0 | 112.4 | K445 T450 | K445-E448 HydrophobicContact CD-CB 4.41Å; K445-E448 HydrophobicContact CD-CG 4.41Å; K445-E448 WeakPolarHBondContact CD-OE1 3.21Å; K445-E448 WeakPolarHBondContact CD-OE2 3.29Å; K445-E448 IonicContact NZ-OE1 2.69Å; K445-E448 PolarHBondContact NZ-OE1 2.98Å; K445-E448 IonicContact NZ-OE2 2.69Å; K445-E448 PolarHBondContact NZ-OE2 3.47Å; K445-E448 PolarHBondContact O-N 2.84Å; E448-T450 PolarHBondContact O-N 3.29Å |
| 449 | L | 93.9 | Very high | 95.3 | Very high | 14 Ų | 14 | 51.6 Ų | 51.6 | 7% | 0.073 | 27% | 0.265 | C | S | . | . | trans | -81.4 | 112.5 | -173.6 | -70.8 | 167.9 | 0 | 0 | 0 | 113.4 | Y441 L442 K445 Q453 L454 Y457 K550 | Y441-L449 HydrophobicContact CE1-CD2 4.21Å; L442-L449 HydrophobicContact CD2-CD1 3.83Å; K445-L449 HydrophobicContact CB-CD1 3.86Å; K445-L449 HydrophobicContact CB-CG 3.94Å; K445-L449 VanDerWaalsContact O-CG 3.32Å; K445-L449 WeakPolarHBondContact O-CG 3.14Å; K445-L449 PolarHBondContact O-N 2.79Å; K445-L449 VanDerWaalsContact O-N 3.12Å; L449-Q453 HydrophobicContact CD2-CB 4.2Å; L449-Q453 HydrophobicContact CD2-CG 3.87Å; L449-L454 HydrophobicContact CB-CD2 4.21Å; L449-L454 HydrophobicContact CD1-CD2 4.26Å; L449-Y457 HydrophobicContact CD2-CE2 4.09Å; L449-K550 PolarHBondContact O-NZ 3.48Å | ||
| 450 | T | 92.3 | Very high | 95.3 | Very high | 76 Ų | 76 | 50.5 Ų | 50.5 | 47% | 0.466 | 26% | 0.262 | S | S | . | . | trans | -73.2 | 155 | 171.5 | 71.2 | 0 | 0 | 0 | 0 | 111.8 | E448 T452 Q453 L454 | E448-T450 PolarHBondContact O-N 3.29Å; T450-T452 PolarHBondContact O-N 3.06Å; T450-Q453 WeakPolarHBondContact O-CB 3.28Å; T450-Q453 PolarHBondContact O-N 2.7Å; T450-Q453 VanDerWaalsContact O-N 3.07Å; T450-Q453 PolarHBondContact OG1-N 3.35Å; T450-L454 WeakPolarHBondContact O-CG 3.45Å; T450-L454 PolarHBondContact O-N 2.67Å | ||
| 451 | I | 91.1 | Very high | 95.4 | Very high | 36 Ų | 36 | 45.5 Ų | 45.5 | 19% | 0.185 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.5 | -38.8 | 175.5 | -172.7 | 59.5 | 0 | 0 | 0 | 111.5 | Q453 L454 L455 L548 Y615 | I451-Q453 VanDerWaalsContact C-N 3.29Å; I451-Q453 PolarHBondContact O-N 3.47Å; I451-L454 PolarHBondContact O-N 2.96Å; I451-L454 VanDerWaalsContact O-N 3.12Å; I451-L455 HydrophobicContact CD1-CG 4.42Å; I451-L455 HydrophobicContact CG1-CD1 4.21Å; I451-L455 HydrophobicContact CG1-CG 4.25Å; I451-L455 VanDerWaalsContact O-CG 3.3Å; I451-L455 WeakPolarHBondContact O-CG 3.46Å; I451-L455 PolarHBondContact O-N 2.99Å; I451-L548 HydrophobicContact CD1-CD2 3.6Å; I451-Y615 HydrophobicContact CG1-CD1 4.36Å; I451-Y615 HydrophobicContact CG1-CE1 4.44Å; I451-Y615 HydrophobicContact CG2-CD1 3.96Å; I451-Y615 HydrophobicContact CG2-CE1 4.37Å |
| 452 | T | 91.5 | Very high | 95.4 | Very high | 25 Ų | 25 | 44 Ų | 44 | 15% | 0.153 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.7 | -35.6 | 176.4 | -55.2 | 0 | 0 | 0 | 0 | 112.8 | T450 T456 K616 | T450-T452 PolarHBondContact O-N 3.06Å; T452-T456 WeakPolarHBondContact O-CB 3.43Å; T452-T456 PolarHBondContact O-N 3.47Å; T452-T456 PolarHBondContact O-OG1 3.14Å; T452-K616 HydrophobicContact CG2-CD 4.21Å; T452-K616 VanDerWaalsContact CG2-CE 3.42Å; T452-K616 HydrophobicContact CG2-CG 3.67Å |
| 453 | Q | 94.2 | Very high | 95.5 | Very high | 61 Ų | 61 | 45 Ų | 45 | 29% | 0.285 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.6 | -47.3 | 173.7 | -149 | 82.3 | 4 | 0 | 0 | 111 | L449 T450 I451 T456 Y457 P488 | L449-Q453 HydrophobicContact CD2-CB 4.2Å; L449-Q453 HydrophobicContact CD2-CG 3.87Å; T450-Q453 WeakPolarHBondContact O-CB 3.28Å; T450-Q453 PolarHBondContact O-N 2.7Å; T450-Q453 VanDerWaalsContact O-N 3.07Å; T450-Q453 PolarHBondContact OG1-N 3.35Å; I451-Q453 VanDerWaalsContact C-N 3.29Å; I451-Q453 PolarHBondContact O-N 3.47Å; Q453-T456 WeakPolarHBondContact O-CA 3.33Å; Q453-T456 WeakPolarHBondContact O-CB 3.44Å; Q453-T456 PolarHBondContact O-N 2.98Å; Q453-T456 VanDerWaalsContact O-N 3.1Å; Q453-Y457 HydrophobicContact CG-CE1 4.09Å; Q453-Y457 HydrophobicContact CG-CE2 4.04Å; Q453-Y457 WeakPolarHBondContact CG-OH 3.41Å; Q453-Y457 PolarHBondContact O-N 3.1Å; Q453-P488 PolarHBondContact NE2-O 3.42Å |
| 454 | L | 95.8 | Very high | 95.5 | Very high | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.8 | -40.8 | -178.4 | -58.6 | 179.4 | 0 | 0 | 0 | 112.4 | L442 L449 T450 I451 T456 Y457 S458 I547 L548 K550 | L442-L454 HydrophobicContact CD2-CD2 3.51Å; L449-L454 HydrophobicContact CB-CD2 4.21Å; L449-L454 HydrophobicContact CD1-CD2 4.26Å; T450-L454 WeakPolarHBondContact O-CG 3.45Å; T450-L454 PolarHBondContact O-N 2.67Å; I451-L454 PolarHBondContact O-N 2.96Å; I451-L454 VanDerWaalsContact O-N 3.12Å; L454-T456 VanDerWaalsContact C-N 3.35Å; L454-Y457 HydrophobicContact CD2-CD2 4.32Å; L454-Y457 HydrophobicContact CD2-CE2 4.47Å; L454-Y457 PolarHBondContact O-N 3.44Å; L454-S458 PolarHBondContact O-N 3.11Å; L454-S458 VanDerWaalsContact O-N 3.1Å; L454-S458 PolarHBondContact O-OG 3.39Å; L454-I547 HydrophobicContact CB-CG2 3.9Å; L454-I547 HydrophobicContact CD2-CG2 4.01Å; L454-I547 WeakPolarHBondContact O-CG2 3.48Å; L454-L548 HydrophobicContact CB-CD2 4.16Å; L454-K550 HydrophobicContact CD1-CG 4.31Å |
| 455 | L | 95 | Very high | 95.6 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.6 | -42 | 170.8 | -63.8 | 176.2 | 0 | 0 | 0 | 111.1 | I451 Y457 S458 Y459 P580 L583 I612 Y615 | I451-L455 HydrophobicContact CD1-CG 4.42Å; I451-L455 HydrophobicContact CG1-CD1 4.21Å; I451-L455 HydrophobicContact CG1-CG 4.25Å; I451-L455 VanDerWaalsContact O-CG 3.3Å; I451-L455 WeakPolarHBondContact O-CG 3.46Å; I451-L455 PolarHBondContact O-N 2.99Å; L455-Y457 PolarHBondContact O-N 3.18Å; L455-S458 WeakPolarHBondContact O-CB 3.48Å; L455-S458 PolarHBondContact O-N 3.01Å; L455-Y459 PolarHBondContact O-N 3.06Å; L455-P580 HydrophobicContact CD2-CG 4.41Å; L455-L583 HydrophobicContact CD2-CD2 3.33Å; L455-I612 HydrophobicContact CB-CD1 4.39Å; L455-I612 HydrophobicContact CB-CG1 3.67Å; L455-Y615 HydrophobicContact CD1-CD1 4.4Å; L455-Y615 HydrophobicContact CD1-CD2 4.48Å; L455-Y615 HydrophobicContact CD1-CG 3.96Å |
| 456 | T | 95.9 | Very high | 95.7 | Very high | 31 Ų | 31 | 35.4 Ų | 35.4 | 19% | 0.19 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.4 | -42.8 | 177.9 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | T452 Q453 L454 S458 Y459 Q460 | T452-T456 WeakPolarHBondContact O-CB 3.43Å; T452-T456 PolarHBondContact O-N 3.47Å; T452-T456 PolarHBondContact O-OG1 3.14Å; Q453-T456 WeakPolarHBondContact O-CA 3.33Å; Q453-T456 WeakPolarHBondContact O-CB 3.44Å; Q453-T456 PolarHBondContact O-N 2.98Å; Q453-T456 VanDerWaalsContact O-N 3.1Å; L454-T456 VanDerWaalsContact C-N 3.35Å; T456-S458 VanDerWaalsContact C-N 3.34Å; T456-S458 PolarHBondContact O-N 3.38Å; T456-Y459 PolarHBondContact O-N 3.01Å; T456-Q460 WeakPolarHBondContact O-CG 3.44Å; T456-Q460 PolarHBondContact O-N 3.04Å |
| 457 | Y | 98 | Very high | 96 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.1 | -43.5 | 173.1 | -59.6 | -26.7 | 0 | 0 | 0 | 111.9 | L438 L449 Q453 L454 L455 Y459 Q460 I461 P488 V491 | L438-Y457 HydrophobicContact CD1-CD2 3.99Å; L438-Y457 HydrophobicContact CD1-CE2 4.09Å; L449-Y457 HydrophobicContact CD2-CE2 4.09Å; Q453-Y457 HydrophobicContact CG-CE1 4.09Å; Q453-Y457 HydrophobicContact CG-CE2 4.04Å; Q453-Y457 WeakPolarHBondContact CG-OH 3.41Å; Q453-Y457 PolarHBondContact O-N 3.1Å; L454-Y457 HydrophobicContact CD2-CD2 4.32Å; L454-Y457 HydrophobicContact CD2-CE2 4.47Å; L454-Y457 PolarHBondContact O-N 3.44Å; L455-Y457 PolarHBondContact O-N 3.18Å; Y457-Y459 VanDerWaalsContact C-N 3.32Å; Y457-Y459 PolarHBondContact O-N 3.39Å; Y457-Q460 PolarHBondContact O-N 3.1Å; Y457-I461 WeakPolarHBondContact O-CG1 3.47Å; Y457-I461 PolarHBondContact O-N 3.12Å; Y457-P488 WeakPolarHBondContact CE1-O 3.36Å; Y457-P488 PolarHBondContact OH-O 3.19Å; Y457-V491 HydrophobicContact CD1-CB 4.43Å; Y457-V491 HydrophobicContact CD1-CG1 3.5Å; Y457-V491 HydrophobicContact CD1-CG2 4.09Å; Y457-V491 HydrophobicContact CD2-CG1 4.44Å; Y457-V491 HydrophobicContact CE1-CG1 3.85Å; Y457-V491 HydrophobicContact CG-CG1 3.84Å; Y457-V491 HydrophobicContact CG-CG2 4.33Å |
| 458 | S | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.3 | -41.1 | 177.1 | -55.8 | 0 | 0 | 0 | 0 | 112.2 | L454 L455 T456 V462 | L454-S458 PolarHBondContact O-N 3.11Å; L454-S458 VanDerWaalsContact O-N 3.1Å; L454-S458 PolarHBondContact O-OG 3.39Å; L455-S458 WeakPolarHBondContact O-CB 3.48Å; L455-S458 PolarHBondContact O-N 3.01Å; T456-S458 VanDerWaalsContact C-N 3.34Å; T456-S458 PolarHBondContact O-N 3.38Å; S458-V462 PolarHBondContact O-N 3.48Å |
| 459 | Y | 97.9 | Very high | 96.3 | Very high | 61 Ų | 61 | 20.3 Ų | 20.3 | 24% | 0.239 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.8 | -39.6 | 174.8 | 177.2 | -106.3 | 0 | 0 | 0 | 113.1 | L455 T456 Y457 I461 V462 T463 K605 I608 R609 I612 | L455-Y459 PolarHBondContact O-N 3.06Å; T456-Y459 PolarHBondContact O-N 3.01Å; Y457-Y459 VanDerWaalsContact C-N 3.32Å; Y457-Y459 PolarHBondContact O-N 3.39Å; Y459-I461 VanDerWaalsContact C-N 3.32Å; Y459-I461 PolarHBondContact O-N 3.04Å; Y459-V462 HydrophobicContact CD2-CG1 4.17Å; Y459-V462 WeakPolarHBondContact O-CG1 3.49Å; Y459-V462 PolarHBondContact O-N 3.43Å; Y459-T463 HydrophobicContact CD1-CG2 4.38Å; Y459-T463 HydrophobicContact CD2-CG2 4.46Å; Y459-T463 HydrophobicContact CE1-CG2 3.98Å; Y459-T463 HydrophobicContact CE2-CG2 4.05Å; Y459-T463 VanDerWaalsContact O-CG2 3.24Å; Y459-T463 WeakPolarHBondContact O-CG2 3.38Å; Y459-T463 PolarHBondContact O-N 3.16Å; Y459-K605 HydrophobicContact CE2-CG 3.86Å; Y459-K605 WeakPolarHBondContact CE2-O 3.5Å; Y459-I608 HydrophobicContact CD2-CG2 4.49Å; Y459-R609 HydrophobicContact CD2-CB 4.04Å; Y459-R609 HydrophobicContact CE2-CB 3.65Å; Y459-R609 HydrophobicContact CE2-CG 4.06Å; Y459-I612 VanDerWaalsContact CB-CD1 3.43Å; Y459-I612 HydrophobicContact CD1-CD1 4.49Å; Y459-I612 HydrophobicContact CG-CD1 3.97Å |
| 460 | Q | 98.4 | Very high | 96.4 | Very high | 20 Ų | 20 | 24 Ų | 24 | 9% | 0.093 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.8 | -43.3 | 176.7 | -73.5 | -178.6 | 5.6 | 0 | 0 | 111.2 | H413 T456 Y457 T463 A464 D489 V491 | H413-Q460 HydrophobicContact CB-CB 4.44Å; H413-Q460 WeakPolarHBondContact CB-O 3.16Å; H413-Q460 WeakPolarHBondContact CE1-CG 3.32Å; H413-Q460 PolarHBondContact CE1-OE1 3.31Å; T456-Q460 WeakPolarHBondContact O-CG 3.44Å; T456-Q460 PolarHBondContact O-N 3.04Å; Y457-Q460 PolarHBondContact O-N 3.1Å; Q460-T463 PolarHBondContact O-N 2.87Å; Q460-T463 PolarHBondContact O-OG1 3.03Å; Q460-A464 PolarHBondContact O-N 3.24Å; Q460-D489 PolarHBondContact NE2-O 3.03Å; Q460-V491 HydrophobicContact CB-CG2 3.8Å |
| 461 | I | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -70.1 | -38.5 | 177.2 | -59.5 | -55.8 | 0 | 0 | 0 | 112.5 | Y457 Y459 T463 A464 L465 I483 V491 L493 F540 | Y457-I461 WeakPolarHBondContact O-CG1 3.47Å; Y457-I461 PolarHBondContact O-N 3.12Å; Y459-I461 VanDerWaalsContact C-N 3.32Å; Y459-I461 PolarHBondContact O-N 3.04Å; I461-T463 PolarHBondContact O-N 2.81Å; I461-A464 WeakPolarHBondContact O-CB 3.42Å; I461-A464 PolarHBondContact O-N 3.01Å; I461-A464 VanDerWaalsContact O-N 3.12Å; I461-L465 HydrophobicContact CG2-CD1 3.79Å; I461-L465 HydrophobicContact CG2-CG 4.19Å; I461-L465 WeakPolarHBondContact O-CG 3.17Å; I461-L465 PolarHBondContact O-N 3.43Å; I461-I483 HydrophobicContact CD1-CB 4.48Å; I461-I483 HydrophobicContact CD1-CD1 4.04Å; I461-I483 HydrophobicContact CD1-CG1 3.91Å; I461-I483 HydrophobicContact CD1-CG2 3.72Å; I461-I483 HydrophobicContact CG1-CD1 3.86Å; I461-I483 HydrophobicContact CG1-CG1 4.31Å; I461-I483 HydrophobicContact CG1-CG2 4.3Å; I461-I483 HydrophobicContact CG2-CD1 4.21Å; I461-V491 HydrophobicContact CD1-CB 4.49Å; I461-V491 HydrophobicContact CD1-CG2 3.87Å; I461-V491 HydrophobicContact CG1-CG2 3.96Å; I461-L493 HydrophobicContact CD1-CB 4.38Å; I461-F540 HydrophobicContact CB-CE2 4.18Å; I461-F540 HydrophobicContact CG2-CD2 4.05Å; I461-F540 HydrophobicContact CG2-CE2 3.91Å |
| 462 | V | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.6 | -29 | 175.2 | 91 | 0 | 0 | 0 | 0 | 112.8 | S458 Y459 A466 F540 F601 L604 K605 I608 | S458-V462 PolarHBondContact O-N 3.48Å; Y459-V462 HydrophobicContact CD2-CG1 4.17Å; Y459-V462 WeakPolarHBondContact O-CG1 3.49Å; Y459-V462 PolarHBondContact O-N 3.43Å; V462-A466 WeakPolarHBondContact O-CB 3.48Å; V462-A466 PolarHBondContact O-N 3.26Å; V462-F540 HydrophobicContact CB-CE1 3.97Å; V462-F540 HydrophobicContact CB-CE2 4.26Å; V462-F540 HydrophobicContact CB-CZ 3.53Å; V462-F540 HydrophobicContact CG2-CD1 4.38Å; V462-F540 HydrophobicContact CG2-CE1 3.56Å; V462-F540 HydrophobicContact CG2-CZ 3.69Å; V462-F601 HydrophobicContact CG2-CD1 4.01Å; V462-L604 HydrophobicContact CG2-CB 3.73Å; V462-K605 HydrophobicContact CG1-CB 3.95Å; V462-K605 HydrophobicContact CG1-CG 4.1Å; V462-I608 HydrophobicContact CB-CD1 4.29Å; V462-I608 HydrophobicContact CG1-CD1 4.32Å; V462-I608 HydrophobicContact CG2-CD1 4.26Å |
| 463 | T | 98.5 | Very high | 96.7 | Very high | 20 Ų | 20 | 26 Ų | 26 | 12% | 0.123 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.4 | -39.2 | 173.3 | 67.9 | 0 | 0 | 0 | 0 | 111.9 | H411 H413 Y459 Q460 I461 C467 K605 | H411-T463 PolarHBondContact CE1-OG1 3.22Å; H413-T463 PolarHBondContact CD2-OG1 3.43Å; Y459-T463 HydrophobicContact CD1-CG2 4.38Å; Y459-T463 HydrophobicContact CD2-CG2 4.46Å; Y459-T463 HydrophobicContact CE1-CG2 3.98Å; Y459-T463 HydrophobicContact CE2-CG2 4.05Å; Y459-T463 VanDerWaalsContact O-CG2 3.24Å; Y459-T463 WeakPolarHBondContact O-CG2 3.38Å; Y459-T463 PolarHBondContact O-N 3.16Å; Q460-T463 PolarHBondContact O-N 2.87Å; Q460-T463 PolarHBondContact O-OG1 3.03Å; I461-T463 PolarHBondContact O-N 2.81Å; T463-C467 PolarHBondContact O-N 3.36Å; T463-K605 HydrophobicContact CG2-CD 3.86Å; T463-K605 HydrophobicContact CG2-CG 4.16Å |
| 464 | A | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.7 | -45.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | H411 H413 I414 Q460 I461 A466 C467 L468 L493 | H411-A464 VanDerWaalsContact CE1-CA 3.46Å; H411-A464 WeakPolarHBondContact CE1-CA 3.27Å; H411-A464 PolarHBondContact CE1-N 2.97Å; H413-A464 HydrophobicContact CB-CB 4.17Å; H413-A464 WeakPolarHBondContact O-CB 3.47Å; I414-A464 HydrophobicContact CD1-CB 4.31Å; I414-A464 HydrophobicContact CG1-CB 3.73Å; Q460-A464 PolarHBondContact O-N 3.24Å; I461-A464 WeakPolarHBondContact O-CB 3.42Å; I461-A464 PolarHBondContact O-N 3.01Å; I461-A464 VanDerWaalsContact O-N 3.12Å; A464-A466 VanDerWaalsContact C-N 3.34Å; A464-A466 PolarHBondContact O-N 3.33Å; A464-C467 WeakPolarHBondContact O-CA 3.44Å; A464-C467 WeakPolarHBondContact O-CB 3.49Å; A464-C467 PolarHBondContact O-N 3.03Å; A464-L468 WeakPolarHBondContact O-CD1 3.28Å; A464-L468 PolarHBondContact O-N 3.35Å; A464-L493 HydrophobicContact CB-CB 4.31Å; A464-L493 HydrophobicContact CB-CD2 4.29Å |
| 465 | L | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.2 | -33.3 | -179.9 | -65.8 | 172.7 | 0 | 0 | 0 | 112.7 | I461 C467 L468 E469 I478 L493 F540 F601 | I461-L465 HydrophobicContact CG2-CD1 3.79Å; I461-L465 HydrophobicContact CG2-CG 4.19Å; I461-L465 WeakPolarHBondContact O-CG 3.17Å; I461-L465 PolarHBondContact O-N 3.43Å; L465-C467 VanDerWaalsContact C-N 3.25Å; L465-C467 PolarHBondContact O-N 3.24Å; L465-L468 HydrophobicContact CD2-CD2 4.4Å; L465-L468 PolarHBondContact O-N 3.39Å; L465-E469 WeakPolarHBondContact O-CB 3.45Å; L465-E469 PolarHBondContact O-N 3.43Å; L465-I478 HydrophobicContact CD1-CD1 4.01Å; L465-I478 HydrophobicContact CD1-CG2 4.18Å; L465-I478 HydrophobicContact CD2-CD1 3.49Å; L465-I478 VanDerWaalsContact CD2-CD1 3.49Å; L465-I478 HydrophobicContact CD2-CG1 4.01Å; L465-I478 HydrophobicContact CG-CD1 4.42Å; L465-L493 HydrophobicContact CD2-CD2 3.52Å; L465-L493 HydrophobicContact CG-CD2 4.17Å; L465-F540 HydrophobicContact CD1-CB 3.84Å; L465-F540 HydrophobicContact CD1-CD2 3.39Å; L465-F540 HydrophobicContact CD1-CE2 4.11Å; L465-F540 HydrophobicContact CD1-CG 3.68Å; L465-F601 HydrophobicContact CB-CB 4.48Å; L465-F601 HydrophobicContact CB-CD1 3.58Å; L465-F601 HydrophobicContact CB-CD2 4.02Å; L465-F601 HydrophobicContact CB-CE1 3.62Å; L465-F601 HydrophobicContact CB-CE2 4.04Å; L465-F601 HydrophobicContact CB-CG 3.77Å; L465-F601 HydrophobicContact CB-CZ 3.83Å; L465-F601 HydrophobicContact CD1-CD1 4.18Å; L465-F601 HydrophobicContact CD1-CE1 3.5Å; L465-F601 VanDerWaalsContact CD1-CE1 3.5Å; L465-F601 HydrophobicContact CD1-CZ 3.83Å; L465-F601 HydrophobicContact CD2-CZ 4.45Å; L465-F601 HydrophobicContact CG-CE1 4.14Å; L465-F601 HydrophobicContact CG-CZ 4.25Å |
| 466 | A | 98.1 | Very high | 96.8 | Very high | 8 Ų | 8 | 23.6 Ų | 23.6 | 7% | 0.066 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.9 | -28.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V462 A464 S470 F601 | V462-A466 WeakPolarHBondContact O-CB 3.48Å; V462-A466 PolarHBondContact O-N 3.26Å; A464-A466 VanDerWaalsContact C-N 3.34Å; A464-A466 PolarHBondContact O-N 3.33Å; A466-S470 PolarHBondContact O-N 2.68Å; A466-F601 HydrophobicContact CB-CB 4.01Å |
| 467 | C | 97.5 | Very high | 96.8 | Very high | 33 Ų | 33 | 22.8 Ų | 22.8 | 22% | 0.223 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -72.7 | -39.9 | 172.1 | -166.2 | 0 | 0 | 0 | 0 | 111.9 | T463 A464 L465 S470 K471 | T463-C467 PolarHBondContact O-N 3.36Å; A464-C467 WeakPolarHBondContact O-CA 3.44Å; A464-C467 WeakPolarHBondContact O-CB 3.49Å; A464-C467 PolarHBondContact O-N 3.03Å; L465-C467 VanDerWaalsContact C-N 3.25Å; L465-C467 PolarHBondContact O-N 3.24Å; C467-S470 PolarHBondContact O-N 3.46Å; C467-S470 PolarHBondContact O-OG 3.49Å; C467-K471 PolarHBondContact O-N 2.93Å |
| 468 | L | 97.2 | Very high | 96.9 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.5 | -45.9 | 172.1 | -90.1 | 68.9 | 0 | 0 | 0 | 111.5 | F409 I414 A464 L465 S470 K471 K472 C473 H475 L493 F496 | F409-L468 HydrophobicContact CD1-CD1 4.18Å; F409-L468 HydrophobicContact CE1-CD1 3.86Å; F409-L468 HydrophobicContact CE1-CG 4.09Å; F409-L468 HydrophobicContact CZ-CD1 4.11Å; F409-L468 HydrophobicContact CZ-CG 3.95Å; I414-L468 HydrophobicContact CD1-CD1 3.48Å; I414-L468 VanDerWaalsContact CD1-CD1 3.48Å; I414-L468 HydrophobicContact CG1-CD1 4.45Å; A464-L468 WeakPolarHBondContact O-CD1 3.28Å; A464-L468 PolarHBondContact O-N 3.35Å; L465-L468 HydrophobicContact CD2-CD2 4.4Å; L465-L468 PolarHBondContact O-N 3.39Å; L468-S470 VanDerWaalsContact C-N 3.33Å; L468-S470 PolarHBondContact O-N 3.41Å; L468-K471 CarbonylContact O-C 3.56Å; L468-K471 PolarHBondContact O-N 3.38Å; L468-K472 PolarHBondContact O-N 2.88Å; L468-C473 HydrophobicContact CB-CB 4.13Å; L468-C473 HydrophobicContact CG-CB 4.06Å; L468-C473 PolarHBondContact O-N 3.28Å; L468-H475 HydrophobicContact CD2-CB 3.89Å; L468-L493 HydrophobicContact CD1-CD2 4.49Å; L468-L493 HydrophobicContact CD2-CD2 4.32Å; L468-F496 HydrophobicContact CD1-CE1 4.22Å; L468-F496 HydrophobicContact CD1-CZ 4.22Å; L468-F496 HydrophobicContact CD2-CE1 3.97Å; L468-F496 HydrophobicContact CD2-CZ 4.34Å; L468-F496 HydrophobicContact CG-CE1 4.34Å |
| 469 | E | 96.1 | Very high | 96.9 | Very high | 33 Ų | 33 | 22.8 Ų | 22.8 | 15% | 0.154 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -53.4 | -47.2 | 176 | -177.1 | 174.2 | -98.2 | 0 | 0 | 111.7 | L465 K471 K472 T600 F601 S602 | L465-E469 WeakPolarHBondContact O-CB 3.45Å; L465-E469 PolarHBondContact O-N 3.43Å; E469-K471 PolarHBondContact O-N 3.2Å; E469-K472 PolarHBondContact O-N 2.56Å; E469-T600 WeakPolarHBondContact OE1-CB 3.12Å; E469-F601 HydrophobicContact CB-CB 4.48Å; E469-F601 HydrophobicContact CB-CD2 4.16Å; E469-F601 PolarHBondContact OE1-N 3.42Å; E469-F601 PolarHBondContact OE2-N 3Å; E469-S602 VanDerWaalsContact OE2-CB 3.31Å; E469-S602 WeakPolarHBondContact OE2-CB 3.49Å; E469-S602 PolarHBondContact OE2-N 2.93Å; E469-S602 PolarHBondContact OE2-OG 3.24Å |
| 470 | S | 94.6 | Very high | 96.9 | Very high | 92 Ų | 92 | 19.9 Ų | 19.9 | 64% | 0.643 | 11% | 0.107 | S | C | * | . | H | α-helix | trans | -64.4 | -23 | 178.7 | 73.6 | 0 | 0 | 0 | 0 | 114.5 | A466 C467 L468 | A466-S470 PolarHBondContact O-N 2.68Å; C467-S470 PolarHBondContact O-N 3.46Å; C467-S470 PolarHBondContact O-OG 3.49Å; L468-S470 VanDerWaalsContact C-N 3.33Å; L468-S470 PolarHBondContact O-N 3.41Å |
| 471 | K | 93 | Very high | 96.8 | Very high | 81 Ų | 81 | 22.2 Ų | 22.2 | 35% | 0.352 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 10.1 | 173 | -75.2 | -156.5 | 166.9 | -168.5 | 0 | 113.9 | E408 F409 C467 L468 E469 C473 | E408-K471 HydrophobicContact CB-CD 4.44Å; E408-K471 PolarHBondContact O-NZ 2.99Å; E408-K471 IonicContact OE2-NZ 2.86Å; E408-K471 PolarHBondContact OE2-NZ 3.25Å; F409-K471 HydrophobicContact CD1-CD 4.4Å; F409-K471 HydrophobicContact CE1-CB 4.12Å; F409-K471 HydrophobicContact CE1-CD 3.84Å; F409-K471 HydrophobicContact CE1-CG 4.21Å; F409-K471 HydrophobicContact CZ-CB 4.2Å; F409-K471 HydrophobicContact CZ-CD 4.17Å; C467-K471 PolarHBondContact O-N 2.93Å; L468-K471 CarbonylContact O-C 3.56Å; L468-K471 PolarHBondContact O-N 3.38Å; E469-K471 PolarHBondContact O-N 3.2Å; K471-C473 PolarHBondContact O-N 3.44Å; K471-C473 VanDerWaalsContact O-N 3.17Å |
| 472 | K | 93.7 | Very high | 96.7 | Very high | 95 Ų | 95 | 22.9 Ų | 22.9 | 41% | 0.413 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 30 | -171.4 | -55.4 | -178 | 178 | -174.2 | 0 | 113.7 | L468 E469 L502 T503 | L468-K472 PolarHBondContact O-N 2.88Å; E469-K472 PolarHBondContact O-N 2.56Å; K472-L502 HydrophobicContact CB-CB 4.24Å; K472-L502 WeakPolarHBondContact CD-O 3.48Å; K472-L502 PolarHBondContact O-N 2.87Å; K472-T503 PolarHBondContact NZ-O 3.08Å |
| 473 | C | 95.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.014 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 127.4 | 177.4 | -172.5 | 0 | 0 | 0 | 0 | 110 | F409 L468 K471 L500 I501 | F409-C473 HydrophobicContact CE2-CB 4.43Å; F409-C473 HydrophobicContact CZ-CB 3.74Å; L468-C473 HydrophobicContact CB-CB 4.13Å; L468-C473 HydrophobicContact CG-CB 4.06Å; L468-C473 PolarHBondContact O-N 3.28Å; K471-C473 PolarHBondContact O-N 3.44Å; K471-C473 VanDerWaalsContact O-N 3.17Å; C473-L500 WeakPolarHBondContact CA-O 3.36Å; C473-I501 HydrophobicContact CB-CG1 4.11Å |
| 474 | V | 96.2 | Very high | 96.7 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.012 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 121.1 | 174.5 | -166.6 | 0 | 0 | 0 | 0 | 107.7 | R476 S499 L500 L502 F531 S532 D536 | V474-R476 HydrophobicContact CB-CG 4.11Å; V474-R476 HydrophobicContact CG1-CG 3.6Å; V474-S499 CarbonylContact O-C 3.54Å; V474-S499 VanDerWaalsContact O-CA 3.23Å; V474-S499 WeakPolarHBondContact O-CA 3.43Å; V474-L500 PolarHBondContact N-O 3.39Å; V474-L500 PolarHBondContact O-N 3.26Å; V474-L502 HydrophobicContact CG2-CD1 3.61Å; V474-L502 HydrophobicContact CG2-CG 3.99Å; V474-F531 HydrophobicContact CG1-CB 4.36Å; V474-S532 WeakPolarHBondContact CG1-O 3.31Å; V474-D536 WeakPolarHBondContact CA-OD2 3.46Å; V474-D536 VanDerWaalsContact CG1-CG 3.48Å; V474-D536 WeakPolarHBondContact CG1-OD1 3.25Å; V474-D536 WeakPolarHBondContact CG1-OD2 3.43Å |
| 475 | H | 96.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -80.8 | -33.3 | -174.9 | -165.8 | -51.4 | 0 | 0 | 0 | 112.9 | L468 D477 I478 A494 D495 F496 D536 | L468-H475 HydrophobicContact CD2-CB 3.89Å; H475-D477 PolarHBondContact O-N 3.28Å; H475-I478 HydrophobicContact CB-CD1 4.2Å; H475-I478 HydrophobicContact CB-CG1 3.87Å; H475-A494 PolarHBondContact CE1-O 2.84Å; H475-A494 PolarHBondContact NE2-O 2.77Å; H475-D495 PolarHBondContact CE1-O 3.24Å; H475-D495 VanDerWaalsContact CE1-O 3.24Å; H475-F496 AromaticContact NE2-CE2 3.95Å; H475-D536 PolarHBondContact N-OD2 2.93Å | ||
| 476 | R | 95.3 | Very high | 96.6 | Very high | 14 Ų | 14 | 24.9 Ų | 24.9 | 5% | 0.053 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 64.4 | -0.2 | 170.8 | -53.4 | 172.2 | 51.6 | -139.3 | 4.4 | 116.9 | V474 M498 A510 F531 D536 M539 | V474-R476 HydrophobicContact CB-CG 4.11Å; V474-R476 HydrophobicContact CG1-CG 3.6Å; R476-M498 WeakPolarHBondContact CD-O 3.48Å; R476-M498 PolarHBondContact NH1-O 3.17Å; R476-A510 VanDerWaalsContact NH2-CB 3.35Å; R476-F531 HydrophobicContact CB-CD1 3.78Å; R476-F531 HydrophobicContact CB-CE1 4.01Å; R476-F531 HydrophobicContact CB-CG 4.5Å; R476-F531 HydrophobicContact CG-CB 3.97Å; R476-F531 HydrophobicContact CG-CD1 3.64Å; R476-F531 HydrophobicContact CG-CE1 4.34Å; R476-F531 HydrophobicContact CG-CG 3.94Å; R476-D536 WeakPolarHBondContact CA-OD1 3.48Å; R476-D536 PolarHBondContact N-OD1 2.92Å; R476-M539 WeakPolarHBondContact O-CE 3.42Å |
| 477 | D | 95.6 | Very high | 96.5 | Very high | 15 Ų | 15 | 30.6 Ų | 30.6 | 8% | 0.08 | 15% | 0.149 | C | C | . | . | trans | -151.3 | 64.6 | 172.6 | -166.9 | 17.8 | 0 | 0 | 0 | 111.7 | H475 R481 N482 M498 P517 | H475-D477 PolarHBondContact O-N 3.28Å; D477-R481 IonicContact OD1-CZ 3.24Å; D477-R481 IonicContact OD1-NH1 2.6Å; D477-R481 IonicContact OD1-NH2 3.52Å; D477-R481 PolarHBondContact OD1-NH2 2.85Å; D477-R481 IonicContact OD2-CZ 3.04Å; D477-R481 IonicContact OD2-NH2 2.66Å; D477-R481 PolarHBondContact OD2-NH2 3.11Å; D477-N482 PolarHBondContact O-ND2 3.32Å; D477-N482 PolarHBondContact OD2-ND2 2.79Å; D477-M498 HydrophobicContact CB-CB 4.41Å; D477-P517 HydrophobicContact CB-CG 4.43Å; D477-P517 WeakPolarHBondContact OD1-CB 3.26Å; D477-P517 VanDerWaalsContact OD1-CG 3.31Å; D477-P517 WeakPolarHBondContact OD1-CG 3.33Å | ||
| 478 | I | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -86.6 | 111.9 | 177.2 | -59.6 | 160.3 | 0 | 0 | 0 | 108.6 | L465 H475 D536 M539 F540 C543 F601 | L465-I478 HydrophobicContact CD1-CD1 4.01Å; L465-I478 HydrophobicContact CD1-CG2 4.18Å; L465-I478 HydrophobicContact CD2-CD1 3.49Å; L465-I478 VanDerWaalsContact CD2-CD1 3.49Å; L465-I478 HydrophobicContact CD2-CG1 4.01Å; L465-I478 HydrophobicContact CG-CD1 4.42Å; H475-I478 HydrophobicContact CB-CD1 4.2Å; H475-I478 HydrophobicContact CB-CG1 3.87Å; I478-D536 HydrophobicContact CD1-CB 3.54Å; I478-M539 HydrophobicContact CB-CB 3.85Å; I478-M539 HydrophobicContact CD1-CB 4.49Å; I478-F540 HydrophobicContact CG2-CB 4.39Å; I478-C543 HydrophobicContact CG2-CB 4.09Å; I478-F601 HydrophobicContact CD1-CZ 4.43Å | ||
| 479 | A | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -153.6 | 158.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | R481 N482 W520 | A479-R481 HydrophobicContact CB-CG 3.93Å; A479-R481 VanDerWaalsContact CB-NH1 3.27Å; A479-R481 PolarHBondContact O-N 3.26Å; A479-N482 PolarHBondContact O-N 2.98Å; A479-W520 HydrophobicContact CB-CG 4.34Å | ||
| 480 | A | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -14.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R439 E546 | R439-A480 HydrophobicContact CB-CB 4.01Å; R439-A480 PolarHBondContact N-O 2.78Å; A480-E546 HydrophobicContact CB-CB 3.76Å; A480-E546 HydrophobicContact CB-CG 4.37Å; A480-E546 PolarHBondContact N-OE2 3.31Å |
| 481 | R | 96.2 | Very high | 96.6 | Very high | 69 Ų | 69 | 30.1 Ų | 30.1 | 26% | 0.26 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -31.5 | 170.5 | 57.1 | 167 | -160.4 | -71 | -1.1 | 113.4 | D477 A479 I483 | D477-R481 IonicContact OD1-CZ 3.24Å; D477-R481 IonicContact OD1-NH1 2.6Å; D477-R481 IonicContact OD1-NH2 3.52Å; D477-R481 PolarHBondContact OD1-NH2 2.85Å; D477-R481 IonicContact OD2-CZ 3.04Å; D477-R481 IonicContact OD2-NH2 2.66Å; D477-R481 PolarHBondContact OD2-NH2 3.11Å; A479-R481 HydrophobicContact CB-CG 3.93Å; A479-R481 VanDerWaalsContact CB-NH1 3.27Å; A479-R481 PolarHBondContact O-N 3.26Å; R481-I483 PolarHBondContact O-N 2.84Å |
| 482 | N | 97 | Very high | 96.9 | Very high | 13 Ų | 13 | 27.1 Ų | 27.1 | 7% | 0.07 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -91.9 | 23.1 | -179.5 | -62.5 | 1.1 | 0 | 0 | 0 | 111.1 | D477 A479 A494 | D477-N482 PolarHBondContact O-ND2 3.32Å; D477-N482 PolarHBondContact OD2-ND2 2.79Å; A479-N482 PolarHBondContact O-N 2.98Å; N482-A494 PolarHBondContact O-N 2.79Å |
| 483 | I | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 129.3 | 174.9 | -67.3 | 159.2 | 0 | 0 | 0 | 106.6 | L438 I461 R481 V491 K492 L493 C543 | L438-I483 HydrophobicContact CB-CB 4.09Å; L438-I483 HydrophobicContact CB-CG2 3.86Å; L438-I483 WeakPolarHBondContact CB-O 3.23Å; L438-I483 HydrophobicContact CD2-CB 4.17Å; L438-I483 HydrophobicContact CD2-CD1 4.45Å; L438-I483 HydrophobicContact CD2-CG2 3.6Å; L438-I483 HydrophobicContact CG-CG2 4.37Å; L438-I483 PolarHBondContact N-O 3.46Å; I461-I483 HydrophobicContact CD1-CB 4.48Å; I461-I483 HydrophobicContact CD1-CD1 4.04Å; I461-I483 HydrophobicContact CD1-CG1 3.91Å; I461-I483 HydrophobicContact CD1-CG2 3.72Å; I461-I483 HydrophobicContact CG1-CD1 3.86Å; I461-I483 HydrophobicContact CG1-CG1 4.31Å; I461-I483 HydrophobicContact CG1-CG2 4.3Å; I461-I483 HydrophobicContact CG2-CD1 4.21Å; R481-I483 PolarHBondContact O-N 2.84Å; I483-V491 HydrophobicContact CG2-CB 3.87Å; I483-V491 HydrophobicContact CG2-CG2 4.42Å; I483-K492 CarbonylContact C-O 3.55Å; I483-K492 WeakPolarHBondContact CA-O 3.44Å; I483-L493 HydrophobicContact CG1-CD1 4.02Å; I483-C543 WeakPolarHBondContact CD1-SG 3.43Å |
| 484 | L | 98.3 | Very high | 97.2 | Very high | 43 Ų | 43 | 23 Ų | 23 | 23% | 0.225 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 149.5 | -179.8 | -54.6 | -177 | 0 | 0 | 0 | 111.3 | I415 A433 G436 E437 V491 K492 A494 | I415-L484 HydrophobicContact CD1-CB 4.32Å; I415-L484 HydrophobicContact CD1-CD1 3.97Å; I415-L484 HydrophobicContact CG1-CD1 4.1Å; A433-L484 HydrophobicContact CB-CB 3.52Å; A433-L484 HydrophobicContact CB-CD1 3.97Å; A433-L484 HydrophobicContact CB-CG 4.38Å; G436-L484 CarbonylContact O-C 3.55Å; G436-L484 VanDerWaalsContact O-CA 3.31Å; G436-L484 WeakPolarHBondContact O-CA 3.44Å; E437-L484 HydrophobicContact CG-CD2 4.18Å; L484-V491 CarbonylContact O-C 3.6Å; L484-V491 WeakPolarHBondContact O-CA 3.43Å; L484-K492 PolarHBondContact N-O 3.03Å; L484-K492 PolarHBondContact O-N 3.23Å; L484-A494 HydrophobicContact CD1-CB 4.07Å; L484-A494 HydrophobicContact CG-CB 3.88Å |
| 485 | V | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 109.9 | 178.3 | -169.3 | 0 | 0 | 0 | 0 | 108.5 | A433 L435 G436 L438 Y441 R487 V491 | A433-V485 CarbonylContact C-O 3.52Å; L435-V485 HydrophobicContact CB-CB 3.73Å; L435-V485 HydrophobicContact CB-CG1 3.78Å; L435-V485 WeakPolarHBondContact CB-O 3.46Å; L435-V485 HydrophobicContact CD1-CG1 3.91Å; L435-V485 HydrophobicContact CG-CG1 4.49Å; L435-V485 PolarHBondContact N-O 2.99Å; L435-V485 VanDerWaalsContact N-O 3.12Å; G436-V485 PolarHBondContact O-N 3.14Å; L438-V485 HydrophobicContact CB-CG2 3.9Å; L438-V485 HydrophobicContact CD1-CG2 3.8Å; L438-V485 HydrophobicContact CG-CG2 4.47Å; Y441-V485 HydrophobicContact CD1-CG1 4.37Å; Y441-V485 HydrophobicContact CD1-CG2 4.06Å; Y441-V485 HydrophobicContact CD2-CG1 4.34Å; Y441-V485 HydrophobicContact CD2-CG2 4.47Å; Y441-V485 HydrophobicContact CE1-CG1 4.36Å; Y441-V485 HydrophobicContact CE2-CG1 4.34Å; Y441-V485 HydrophobicContact CG-CB 4.44Å; Y441-V485 HydrophobicContact CG-CG1 4.36Å; Y441-V485 HydrophobicContact CG-CG2 3.88Å; V485-R487 WeakPolarHBondContact CG1-O 3.21Å; V485-V491 HydrophobicContact CG2-CG1 4.25Å |
| 486 | S | 95.8 | Very high | 96.9 | Very high | 21 Ų | 21 | 26.2 Ų | 26.2 | 15% | 0.147 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -42.4 | 178.7 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | C490 | S486-C490 PolarHBondContact N-O 3.39Å |
| 487 | R | 96.6 | Very high | 96.5 | Very high | 127 Ų | 127 | 26 Ų | 26 | 48% | 0.479 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 163.1 | 176.4 | -60.9 | -177.7 | -63.7 | 109.4 | 15.9 | 108.3 | V485 D489 C490 | V485-R487 WeakPolarHBondContact CG1-O 3.21Å; R487-D489 WeakPolarHBondContact CB-OD1 3.46Å; R487-D489 IonicContact CZ-OD1 3.14Å; R487-D489 IonicContact CZ-OD2 3.15Å; R487-D489 IonicContact NE-OD1 3.84Å; R487-D489 IonicContact NH1-OD1 2.79Å; R487-D489 PolarHBondContact NH1-OD1 2.79Å; R487-D489 IonicContact NH1-OD2 3.07Å; R487-D489 PolarHBondContact NH1-OD2 3.31Å; R487-D489 IonicContact NH2-OD1 2.76Å; R487-D489 PolarHBondContact NH2-OD1 3.02Å; R487-D489 IonicContact NH2-OD2 2.68Å; R487-D489 PolarHBondContact NH2-OD2 3.3Å; R487-D489 PolarHBondContact O-N 3.26Å; R487-C490 HydrophobicContact CB-CB 4.05Å; R487-C490 PolarHBondContact N-O 2.68Å; R487-C490 CarbonylContact O-C 3.6Å; R487-C490 PolarHBondContact O-N 3.21Å; R487-C490 VanDerWaalsContact O-O 3.08Å |
| 488 | P | 96.1 | Very high | 96.1 | Very high | 68 Ų | 68 | 26.4 Ų | 26.4 | 44% | 0.442 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -24.5 | -178 | -26.8 | 36.7 | 0 | 0 | 0 | 114.5 | L435 Q453 Y457 | L435-P488 HydrophobicContact CD1-CG 3.95Å; Q453-P488 PolarHBondContact NE2-O 3.42Å; Y457-P488 WeakPolarHBondContact CE1-O 3.36Å; Y457-P488 PolarHBondContact OH-O 3.19Å |
| 489 | D | 95.3 | Very high | 95.8 | Very high | 71 Ų | 71 | 27 Ų | 27 | 38% | 0.38 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 2 | 175.5 | 67.3 | -46.9 | 0 | 0 | 0 | 114.2 | Q460 R487 | Q460-D489 PolarHBondContact NE2-O 3.03Å; R487-D489 WeakPolarHBondContact CB-OD1 3.46Å; R487-D489 IonicContact CZ-OD1 3.14Å; R487-D489 IonicContact CZ-OD2 3.15Å; R487-D489 IonicContact NE-OD1 3.84Å; R487-D489 IonicContact NH1-OD1 2.79Å; R487-D489 PolarHBondContact NH1-OD1 2.79Å; R487-D489 IonicContact NH1-OD2 3.07Å; R487-D489 PolarHBondContact NH1-OD2 3.31Å; R487-D489 IonicContact NH2-OD1 2.76Å; R487-D489 PolarHBondContact NH2-OD1 3.02Å; R487-D489 IonicContact NH2-OD2 2.68Å; R487-D489 PolarHBondContact NH2-OD2 3.3Å; R487-D489 PolarHBondContact O-N 3.26Å |
| 490 | C | 97.7 | Very high | 95.4 | Very high | 11 Ų | 11 | 29.4 Ų | 29.4 | 7% | 0.074 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 109 | -166.3 | -169.9 | 0 | 0 | 0 | 0 | 113.7 | S486 R487 | S486-C490 PolarHBondContact N-O 3.39Å; R487-C490 HydrophobicContact CB-CB 4.05Å; R487-C490 PolarHBondContact N-O 2.68Å; R487-C490 CarbonylContact O-C 3.6Å; R487-C490 PolarHBondContact O-N 3.21Å; R487-C490 VanDerWaalsContact O-O 3.08Å |
| 491 | V | 98.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 155.3 | 170.8 | -61.4 | 0 | 0 | 0 | 0 | 111.8 | H413 L438 Y457 Q460 I461 I483 L484 V485 | H413-V491 PolarHBondContact ND1-O 2.94Å; L438-V491 HydrophobicContact CD1-CG1 4Å; L438-V491 HydrophobicContact CD2-CG1 4.16Å; Y457-V491 HydrophobicContact CD1-CB 4.43Å; Y457-V491 HydrophobicContact CD1-CG1 3.5Å; Y457-V491 HydrophobicContact CD1-CG2 4.09Å; Y457-V491 HydrophobicContact CD2-CG1 4.44Å; Y457-V491 HydrophobicContact CE1-CG1 3.85Å; Y457-V491 HydrophobicContact CG-CG1 3.84Å; Y457-V491 HydrophobicContact CG-CG2 4.33Å; Q460-V491 HydrophobicContact CB-CG2 3.8Å; I461-V491 HydrophobicContact CD1-CB 4.49Å; I461-V491 HydrophobicContact CD1-CG2 3.87Å; I461-V491 HydrophobicContact CG1-CG2 3.96Å; I483-V491 HydrophobicContact CG2-CB 3.87Å; I483-V491 HydrophobicContact CG2-CG2 4.42Å; L484-V491 CarbonylContact O-C 3.6Å; L484-V491 WeakPolarHBondContact O-CA 3.43Å; V485-V491 HydrophobicContact CG2-CG1 4.25Å |
| 492 | K | 98.7 | Very high | 94.2 | Very high | 19 Ų | 19 | 29.5 Ų | 29.5 | 8% | 0.083 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 136.6 | -178.2 | -57.8 | -166.2 | 173 | -139.7 | 0 | 112 | P412 H413 I415 E431 I483 L484 | P412-K492 WeakPolarHBondContact O-CE 3.48Å; P412-K492 PolarHBondContact O-NZ 3.09Å; P412-K492 VanDerWaalsContact O-NZ 3.08Å; H413-K492 WeakPolarHBondContact O-CA 3.49Å; I415-K492 HydrophobicContact CD1-CB 3.9Å; I415-K492 HydrophobicContact CD1-CD 3.92Å; I415-K492 HydrophobicContact CD1-CG 4.49Å; I415-K492 HydrophobicContact CG1-CB 3.97Å; E431-K492 VanDerWaalsContact OE1-CE 3.29Å; E431-K492 WeakPolarHBondContact OE1-CE 3.3Å; E431-K492 IonicContact OE1-NZ 2.66Å; E431-K492 PolarHBondContact OE1-NZ 3.13Å; E431-K492 WeakPolarHBondContact OE2-CD 3.49Å; E431-K492 WeakPolarHBondContact OE2-CE 3.31Å; E431-K492 IonicContact OE2-NZ 3.38Å; E431-K492 PolarHBondContact OE2-NZ 2.8Å; I483-K492 CarbonylContact C-O 3.55Å; I483-K492 WeakPolarHBondContact CA-O 3.44Å; L484-K492 PolarHBondContact N-O 3.03Å; L484-K492 PolarHBondContact O-N 3.23Å |
| 493 | L | 98.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 140.1 | 174.5 | -171.1 | 61.5 | 0 | 0 | 0 | 111.1 | H413 I415 I461 A464 L465 L468 I483 F496 | H413-L493 PolarHBondContact O-N 2.89Å; I415-L493 PolarHBondContact N-O 2.93Å; I461-L493 HydrophobicContact CD1-CB 4.38Å; A464-L493 HydrophobicContact CB-CB 4.31Å; A464-L493 HydrophobicContact CB-CD2 4.29Å; L465-L493 HydrophobicContact CD2-CD2 3.52Å; L465-L493 HydrophobicContact CG-CD2 4.17Å; L468-L493 HydrophobicContact CD1-CD2 4.49Å; L468-L493 HydrophobicContact CD2-CD2 4.32Å; I483-L493 HydrophobicContact CG1-CD1 4.02Å; L493-F496 HydrophobicContact CG-CE2 4.5Å |
| 494 | A | 96.7 | Very high | 91.7 | Very high | 10 Ų | 10 | 40.7 Ų | 40.7 | 8% | 0.083 | 22% | 0.22 | C | C | . | . | trans | -148.1 | 175.8 | -169 | 0 | 0 | 0 | 0 | 0 | 112.8 | I415 H475 N482 L484 | I415-A494 HydrophobicContact CB-CB 4.41Å; I415-A494 HydrophobicContact CG1-CB 3.78Å; H475-A494 PolarHBondContact CE1-O 2.84Å; H475-A494 PolarHBondContact NE2-O 2.77Å; N482-A494 PolarHBondContact O-N 2.79Å; L484-A494 HydrophobicContact CD1-CB 4.07Å; L484-A494 HydrophobicContact CG-CB 3.88Å | ||
| 495 | D | 92.8 | Very high | 90.5 | Very high | 68 Ų | 68 | 45.8 Ų | 45.8 | 36% | 0.364 | 24% | 0.241 | S | C | . | . | trans | 55.8 | 80.1 | -178.7 | -164.1 | 32.5 | 0 | 0 | 0 | 114.8 | K385 H475 G497 | K385-D495 IonicContact NZ-OD1 2.7Å; K385-D495 PolarHBondContact NZ-OD1 3.17Å; H475-D495 PolarHBondContact CE1-O 3.24Å; H475-D495 VanDerWaalsContact CE1-O 3.24Å; D495-G497 VanDerWaalsContact C-N 3.32Å; D495-G497 PolarHBondContact O-N 2.86Å | ||
| 496 | F | 93.5 | Very high | 89.5 | Confident | 1 Ų | 1 | 52 Ų | 52 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | trans | -89.3 | 6.1 | -175.6 | -79.8 | -116.4 | 0 | 0 | 0 | 112.7 | E402 I405 L406 F409 I414 L468 H475 L493 M498 S499 | E402-F496 HydrophobicContact CG-CB 3.96Å; E402-F496 PolarHBondContact OE1-N 3.32Å; E402-F496 VanDerWaalsContact OE1-N 3.14Å; I405-F496 HydrophobicContact CG2-CD1 3.94Å; L406-F496 HydrophobicContact CD1-CD1 4.37Å; L406-F496 HydrophobicContact CD1-CD2 3.65Å; L406-F496 HydrophobicContact CD1-CE1 4.39Å; L406-F496 HydrophobicContact CD1-CE2 3.7Å; L406-F496 HydrophobicContact CD1-CG 4.01Å; L406-F496 HydrophobicContact CD1-CZ 4.07Å; F409-F496 HydrophobicContact CD2-CE1 4.17Å; F409-F496 HydrophobicContact CE2-CE1 4.12Å; I414-F496 HydrophobicContact CG2-CE2 3.99Å; I414-F496 HydrophobicContact CG2-CZ 3.8Å; L468-F496 HydrophobicContact CD1-CE1 4.22Å; L468-F496 HydrophobicContact CD1-CZ 4.22Å; L468-F496 HydrophobicContact CD2-CE1 3.97Å; L468-F496 HydrophobicContact CD2-CZ 4.34Å; L468-F496 HydrophobicContact CG-CE1 4.34Å; H475-F496 AromaticContact NE2-CE2 3.95Å; L493-F496 HydrophobicContact CG-CE2 4.5Å; F496-M498 PolarHBondContact O-N 2.93Å; F496-S499 WeakPolarHBondContact CD1-OG 3.37Å; F496-S499 WeakPolarHBondContact O-CB 3.43Å; F496-S499 PolarHBondContact O-N 3.49Å; F496-S499 PolarHBondContact O-OG 2.91Å | ||
| 497 | G | 87.6 | Confident | 88.7 | Confident | 11 Ų | 11 | 52.8 Ų | 52.8 | 11% | 0.113 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | E402 D495 | E402-G497 PolarHBondContact OE1-N 3.4Å; E402-G497 WeakPolarHBondContact OE2-CA 3.42Å; D495-G497 VanDerWaalsContact C-N 3.32Å; D495-G497 PolarHBondContact O-N 2.86Å |
| 498 | M | 87.2 | Confident | 88.1 | Confident | 22 Ų | 22 | 50.2 Ų | 50.2 | 11% | 0.108 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -5.6 | 171.4 | -81.1 | -58.6 | -49.1 | 0 | 0 | 114.3 | R476 D477 F496 R514 M516 | R476-M498 WeakPolarHBondContact CD-O 3.48Å; R476-M498 PolarHBondContact NH1-O 3.17Å; D477-M498 HydrophobicContact CB-CB 4.41Å; F496-M498 PolarHBondContact O-N 2.93Å; M498-R514 PolarHBondContact SD-NH1 3.08Å; M498-M516 HydrophobicContact CE-CE 3.52Å; M498-M516 HydrophobicContact CE-SD 4.48Å; M498-M516 HydrophobicContact SD-CE 4.1Å |
| 499 | S | 91.6 | Very high | 87.5 | Confident | 12 Ų | 12 | 53.5 Ų | 53.5 | 8% | 0.084 | 28% | 0.278 | C | S | . | . | trans | -70.2 | 162.6 | -174.1 | -63 | 0 | 0 | 0 | 0 | 113.5 | V474 F496 | V474-S499 CarbonylContact O-C 3.54Å; V474-S499 VanDerWaalsContact O-CA 3.23Å; V474-S499 WeakPolarHBondContact O-CA 3.43Å; F496-S499 WeakPolarHBondContact CD1-OG 3.37Å; F496-S499 WeakPolarHBondContact O-CB 3.43Å; F496-S499 PolarHBondContact O-N 3.49Å; F496-S499 PolarHBondContact O-OG 2.91Å | ||
| 500 | L | 89.5 | Confident | 86.6 | Confident | 52 Ų | 52 | 50.8 Ų | 50.8 | 27% | 0.272 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 131.5 | 172.8 | -176.4 | 64.7 | 0 | 0 | 0 | 111.1 | C473 V474 L502 F508 | C473-L500 WeakPolarHBondContact CA-O 3.36Å; V474-L500 PolarHBondContact N-O 3.39Å; V474-L500 PolarHBondContact O-N 3.26Å; L500-L502 HydrophobicContact CD2-CD2 3.86Å; L500-L502 HydrophobicContact CG-CD2 4.19Å; L500-F508 HydrophobicContact CD2-CB 3.64Å; L500-F508 HydrophobicContact CD2-CD1 3.61Å; L500-F508 HydrophobicContact CD2-CD2 3.45Å; L500-F508 VanDerWaalsContact CD2-CD2 3.45Å; L500-F508 HydrophobicContact CD2-CE1 4.05Å; L500-F508 HydrophobicContact CD2-CE2 3.92Å; L500-F508 HydrophobicContact CD2-CG 3.27Å; L500-F508 HydrophobicContact CD2-CZ 4.2Å |
| 501 | I | 85.8 | Confident | 85.4 | Confident | 56 Ų | 56 | 56.7 Ų | 56.7 | 29% | 0.287 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 125.4 | 167.6 | -63.4 | 172.2 | 0 | 0 | 0 | 108.4 | I405 E408 C473 | I405-I501 HydrophobicContact CG1-CD1 4.16Å; I405-I501 HydrophobicContact CG1-CG1 4.26Å; I405-I501 HydrophobicContact CG2-CD1 4.32Å; I405-I501 HydrophobicContact CG2-CG1 4.28Å; E408-I501 HydrophobicContact CG-CD1 4.36Å; C473-I501 HydrophobicContact CB-CG1 4.11Å |
| 502 | L | 84.2 | Confident | 83.9 | Confident | 14 Ų | 14 | 65 Ų | 65 | 7% | 0.073 | 33% | 0.331 | C | S | . | . | trans | -91.6 | 117.5 | -178.6 | -55.2 | 176 | 0 | 0 | 0 | 111.2 | K472 V474 L500 K505 F508 | K472-L502 HydrophobicContact CB-CB 4.24Å; K472-L502 WeakPolarHBondContact CD-O 3.48Å; K472-L502 PolarHBondContact O-N 2.87Å; V474-L502 HydrophobicContact CG2-CD1 3.61Å; V474-L502 HydrophobicContact CG2-CG 3.99Å; L500-L502 HydrophobicContact CD2-CD2 3.86Å; L500-L502 HydrophobicContact CG-CD2 4.19Å; L502-K505 WeakPolarHBondContact CB-O 3.41Å; L502-F508 HydrophobicContact CD2-CB 3.78Å | ||
| 503 | T | 74.8 | Confident | 82.3 | Confident | 102 Ų | 102 | 67.8 Ų | 67.8 | 63% | 0.626 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -75 | -68.4 | 177.6 | 52.1 | 0 | 0 | 0 | 0 | 111.4 | K472 | K472-T503 PolarHBondContact NZ-O 3.08Š|
| 504 | D | 68.2 | Low | 80.9 | Confident | 146 Ų | 146 | 70.8 Ų | 70.8 | 78% | 0.781 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -113 | -9.5 | -161 | -50.3 | -71.2 | 0 | 0 | 0 | 114.4 | ||
| 505 | K | 72.1 | Confident | 80 | Confident | 151 Ų | 151 | 80.1 Ų | 80.1 | 66% | 0.657 | 42% | 0.415 | S | S | * | . | trans | -123.7 | 156.8 | -178.7 | -66.4 | 178.8 | -179.4 | 176.2 | 0 | 110.3 | L502 D507 | L502-K505 WeakPolarHBondContact CB-O 3.41Å; K505-D507 VanDerWaalsContact C-N 3.27Å; K505-D507 WeakPolarHBondContact CB-O 3.2Å | ||
| 506 | N | 78.8 | Confident | 79.6 | Confident | 130 Ų | 130 | 78.2 Ų | 78.2 | 70% | 0.695 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -87.8 | 1.7 | 174.6 | -67.4 | -14.2 | 0 | 0 | 0 | 112.7 | S532 | N506-S532 VanDerWaalsContact O-CB 3.29Å; N506-S532 WeakPolarHBondContact O-CB 3.5Å |
| 507 | D | 79.2 | Confident | 79.5 | Confident | 38 Ų | 38 | 79.2 Ų | 79.2 | 20% | 0.203 | 41% | 0.411 | C | S | . | . | trans | -154.6 | 164.1 | -179.1 | 70.6 | -91 | 0 | 0 | 0 | 112.1 | K505 R530 F531 | K505-D507 VanDerWaalsContact C-N 3.27Å; K505-D507 WeakPolarHBondContact CB-O 3.2Å; D507-R530 HydrophobicContact CB-CG 4.26Å; D507-R530 IonicContact OD1-CZ 3.81Å; D507-R530 IonicContact OD1-NE 3.59Å; D507-R530 IonicContact OD1-NH2 3.74Å; D507-R530 PolarHBondContact OD1-NH2 2.93Å; D507-R530 IonicContact OD2-CZ 3.92Å; D507-R530 IonicContact OD2-NE 2.8Å; D507-R530 PolarHBondContact OD2-NE 3.37Å; D507-R530 IonicContact OD2-NH2 3.18Å; D507-R530 PolarHBondContact OD2-NH2 2.83Å; D507-F531 CarbonylContact C-O 3.53Å; D507-F531 WeakPolarHBondContact CA-O 3.48Å; D507-F531 WeakPolarHBondContact CB-O 3.33Å | ||
| 508 | F | 82.7 | Confident | 79.9 | Confident | 73 Ų | 73 | 80.7 Ų | 80.7 | 32% | 0.32 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 137.1 | 178.2 | 169.1 | -106.1 | 0 | 0 | 0 | 110.7 | L500 L502 A510 R530 F531 | L500-F508 HydrophobicContact CD2-CB 3.64Å; L500-F508 HydrophobicContact CD2-CD1 3.61Å; L500-F508 HydrophobicContact CD2-CD2 3.45Å; L500-F508 VanDerWaalsContact CD2-CD2 3.45Å; L500-F508 HydrophobicContact CD2-CE1 4.05Å; L500-F508 HydrophobicContact CD2-CE2 3.92Å; L500-F508 HydrophobicContact CD2-CG 3.27Å; L500-F508 HydrophobicContact CD2-CZ 4.2Å; L502-F508 HydrophobicContact CD2-CB 3.78Å; F508-A510 HydrophobicContact CD1-CB 4.28Å; F508-A510 HydrophobicContact CE1-CB 3.67Å; F508-A510 HydrophobicContact CZ-CB 4.45Å; F508-R530 CarbonylContact O-C 3.48Å; F508-R530 WeakPolarHBondContact O-CA 3.46Å; F508-F531 PolarHBondContact N-O 3.43Å; F508-F531 PolarHBondContact O-N 3.15Å |
| 509 | Q | 83.2 | Confident | 80.4 | Confident | 137 Ų | 137 | 81 Ų | 81 | 64% | 0.64 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 119.9 | 172.1 | -170.7 | 172.2 | 24.6 | 0 | 0 | 109.9 | Q528 R529 | Q509-Q528 WeakPolarHBondContact CG-O 3.38Å; Q509-Q528 PolarHBondContact NE2-O 3.32Å; Q509-R529 WeakPolarHBondContact CA-O 3.37Å |
| 510 | A | 76.6 | Confident | 80.7 | Confident | 14 Ų | 14 | 81.9 Ų | 81.9 | 12% | 0.116 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -87.1 | 145.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R476 F508 R529 F531 | R476-A510 VanDerWaalsContact NH2-CB 3.35Å; F508-A510 HydrophobicContact CD1-CB 4.28Å; F508-A510 HydrophobicContact CE1-CB 3.67Å; F508-A510 HydrophobicContact CZ-CB 4.45Å; A510-R529 HydrophobicContact CB-CB 4.29Å; A510-R529 PolarHBondContact N-O 2.66Å; A510-R529 WeakPolarHBondContact O-CB 3.48Å; A510-R529 VanDerWaalsContact O-CD 3.31Å; A510-R529 WeakPolarHBondContact O-CD 3.4Å; A510-F531 HydrophobicContact CB-CD2 4.03Å; A510-F531 HydrophobicContact CB-CE2 3.66Å |
| 511 | E | 72.1 | Confident | 81 | Confident | 135 Ų | 135 | 79.6 Ų | 79.6 | 63% | 0.631 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -54 | 158.9 | 173.6 | -61.7 | 168.1 | 163.8 | 0 | 0 | 113.1 | R529 | E511-R529 WeakPolarHBondContact O-CD 3.21Å; E511-R529 PolarHBondContact O-NH1 2.94Å |
| 512 | Q | 67.6 | Low | 81.6 | Confident | 174 Ų | 174 | 77 Ų | 77 | 81% | 0.813 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -74 | 176.1 | 172.3 | -62 | -166 | 5.2 | 0 | 0 | 111.8 | R514 | Q512-R514 PolarHBondContact O-N 3.26Å; Q512-R514 VanDerWaalsContact O-N 3.11Å |
| 513 | G | 65.8 | Low | 82.2 | Confident | 77 Ų | 77 | 77.1 Ų | 77.1 | 79% | 0.794 | 39% | 0.394 | S | S | * | . | S | Bend | trans | 84.9 | -41.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | K515 | G513-K515 PolarHBondContact O-N 3.47Š|
| 514 | R | 69.9 | Low | 83.2 | Confident | 64 Ų | 64 | 73.4 Ų | 73.4 | 24% | 0.242 | 37% | 0.37 | C | S | . | . | trans | -60.4 | 137 | 178.2 | -67.8 | -160.6 | -169 | -161 | 6.4 | 111.8 | M498 Q512 M516 | M498-R514 PolarHBondContact SD-NH1 3.08Å; Q512-R514 PolarHBondContact O-N 3.26Å; Q512-R514 VanDerWaalsContact O-N 3.11Å; R514-M516 HydrophobicContact CB-CE 3.71Å | ||
| 515 | K | 76.8 | Confident | 84.5 | Confident | 205 Ų | 205 | 66.5 Ų | 66.5 | 89% | 0.891 | 33% | 0.333 | S | S | * | . | trans | -64 | 134.9 | 165.5 | -69.8 | 179.2 | 180 | 173.5 | 0 | 109.3 | G513 | G513-K515 PolarHBondContact O-N 3.47Š| ||
| 516 | M | 83.8 | Confident | 85.5 | Confident | 29 Ų | 29 | 60.9 Ų | 60.9 | 14% | 0.143 | 31% | 0.31 | C | S | . | . | trans | -128.6 | 153.1 | -175 | -57.9 | -83.2 | 84 | 0 | 0 | 111.8 | M498 R514 I518 M521 F531 | M498-M516 HydrophobicContact CE-CE 3.52Å; M498-M516 HydrophobicContact CE-SD 4.48Å; M498-M516 HydrophobicContact SD-CE 4.1Å; R514-M516 HydrophobicContact CB-CE 3.71Å; M516-I518 VanDerWaalsContact C-N 3.25Å; M516-I518 HydrophobicContact CB-CD1 4.31Å; M516-I518 PolarHBondContact O-N 2.97Å; M516-M521 HydrophobicContact CB-CE 4.23Å; M516-M521 HydrophobicContact CB-SD 3.54Å; M516-M521 VanDerWaalsContact CB-SD 3.54Å; M516-M521 HydrophobicContact CG-SD 4.41Å; M516-F531 HydrophobicContact SD-CZ 4.02Å | ||
| 517 | P | 92.8 | Very high | 86 | Confident | 22 Ų | 22 | 60.6 Ų | 60.6 | 14% | 0.143 | 30% | 0.304 | C | S | . | . | trans | -80.2 | 61.6 | -177.4 | 36.2 | -39.9 | 0 | 0 | 0 | 112.5 | D477 K519 W520 M521 | D477-P517 HydrophobicContact CB-CG 4.43Å; D477-P517 WeakPolarHBondContact OD1-CB 3.26Å; D477-P517 VanDerWaalsContact OD1-CG 3.31Å; D477-P517 WeakPolarHBondContact OD1-CG 3.33Å; P517-K519 VanDerWaalsContact C-N 3.29Å; P517-K519 PolarHBondContact O-N 3.29Å; P517-W520 HydrophobicContact CB-CE3 4.18Å; P517-W520 PolarHBondContact O-N 2.92Å; P517-M521 HydrophobicContact CG-CG 4.15Å | ||
| 518 | I | 95 | Very high | 86.4 | Confident | 41 Ų | 41 | 63.8 Ų | 63.8 | 21% | 0.21 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -34.8 | -51.9 | -169 | -59.2 | -55.7 | 0 | 0 | 0 | 115.1 | M516 W520 M521 L526 N560 V564 | M516-I518 VanDerWaalsContact C-N 3.25Å; M516-I518 HydrophobicContact CB-CD1 4.31Å; M516-I518 PolarHBondContact O-N 2.97Å; I518-W520 PolarHBondContact O-N 3.31Å; I518-M521 HydrophobicContact CD1-SD 4.16Å; I518-M521 PolarHBondContact O-N 3.01Å; I518-L526 HydrophobicContact CD1-CD2 4.07Å; I518-L526 HydrophobicContact CG2-CD2 3.95Å; I518-N560 HydrophobicContact CB-CB 4.3Å; I518-N560 HydrophobicContact CG1-CB 4.37Å; I518-N560 HydrophobicContact CG2-CB 4.04Å; I518-V564 HydrophobicContact CG2-CG2 3.61Å |
| 519 | K | 97.3 | Very high | 86.7 | Confident | 28 Ų | 28 | 63.9 Ų | 63.9 | 12% | 0.122 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -72.2 | -9 | -173.3 | -58.1 | -171.7 | 177 | -171.9 | 0 | 115.5 | P517 P554 F555 L558 N560 A563 | P517-K519 VanDerWaalsContact C-N 3.29Å; P517-K519 PolarHBondContact O-N 3.29Å; K519-P554 HydrophobicContact CB-CG 4.16Å; K519-P554 VanDerWaalsContact CD-O 3.26Å; K519-P554 WeakPolarHBondContact CD-O 3.46Å; K519-F555 HydrophobicContact CB-CD2 4.42Å; K519-F555 HydrophobicContact CD-CB 4.24Å; K519-F555 PolarHBondContact NZ-O 3.44Å; K519-L558 WeakPolarHBondContact CE-O 3.44Å; K519-L558 PolarHBondContact NZ-O 3.01Å; K519-N560 VanDerWaalsContact CE-OD1 3.25Å; K519-N560 WeakPolarHBondContact CE-OD1 3.46Å; K519-A563 HydrophobicContact CG-CB 4.14Å |
| 520 | W | 98.1 | Very high | 87.2 | Confident | 32 Ų | 32 | 62.5 Ų | 62.5 | 12% | 0.121 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -100.7 | -19.2 | 173.6 | -70.7 | -104.2 | 0 | 0 | 0 | 112.7 | A479 P517 I518 W538 M539 V542 E546 P554 | A479-W520 HydrophobicContact CB-CG 4.34Å; P517-W520 HydrophobicContact CB-CE3 4.18Å; P517-W520 PolarHBondContact O-N 2.92Å; I518-W520 PolarHBondContact O-N 3.31Å; W520-W538 PolarHBondContact O-NE1 3.22Å; W520-M539 VanDerWaalsContact O-CG 3.29Å; W520-M539 WeakPolarHBondContact O-CG 3.29Å; W520-V542 HydrophobicContact CG-CG1 4.09Å; W520-E546 WeakPolarHBondContact CZ2-OE1 3.48Å; W520-E546 VanDerWaalsContact NE1-CD 3.27Å; W520-E546 PolarHBondContact NE1-OE2 2.69Å; W520-P554 HydrophobicContact CD2-CG 3.94Å; W520-P554 HydrophobicContact CE3-CG 4.3Å; W520-P554 HydrophobicContact CH2-CG 4.12Å; W520-P554 HydrophobicContact CZ2-CG 3.75Å; W520-P554 HydrophobicContact CZ3-CG 4.38Å |
| 521 | M | 96.9 | Very high | 88 | Confident | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.02 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -75.3 | 149.2 | -168.2 | -67.9 | 171.7 | 65.2 | 0 | 0 | 113.3 | M516 P517 I518 S525 L526 F531 W538 M539 | M516-M521 HydrophobicContact CB-CE 4.23Å; M516-M521 HydrophobicContact CB-SD 3.54Å; M516-M521 VanDerWaalsContact CB-SD 3.54Å; M516-M521 HydrophobicContact CG-SD 4.41Å; P517-M521 HydrophobicContact CG-CG 4.15Å; I518-M521 HydrophobicContact CD1-SD 4.16Å; I518-M521 PolarHBondContact O-N 3.01Å; M521-S525 VanDerWaalsContact CE-O 3.27Å; M521-S525 WeakPolarHBondContact CE-O 3.41Å; M521-L526 HydrophobicContact CB-CD1 4.35Å; M521-L526 HydrophobicContact CB-CD2 3.85Å; M521-L526 HydrophobicContact CB-CG 3.79Å; M521-L526 HydrophobicContact CE-CD2 4.11Å; M521-L526 HydrophobicContact CE-CG 4.46Å; M521-L526 HydrophobicContact CG-CD2 4.5Å; M521-L526 HydrophobicContact SD-CD2 3.95Å; M521-F531 HydrophobicContact CE-CE1 4.4Å; M521-F531 HydrophobicContact CE-CZ 4.03Å; M521-W538 PolarHBondContact O-NE1 3.33Å; M521-M539 HydrophobicContact CG-CE 4.44Å |
| 522 | A | 97.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -71.3 | 154.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E524 S525 L526 W538 | A522-E524 VanDerWaalsContact C-N 3.3Å; A522-E524 VanDerWaalsContact CB-OE1 3.26Å; A522-E524 WeakPolarHBondContact CB-OE1 3.47Å; A522-E524 WeakPolarHBondContact CB-OE2 3.35Å; A522-E524 PolarHBondContact O-N 3.15Å; A522-S525 WeakPolarHBondContact O-CA 3.48Å; A522-S525 WeakPolarHBondContact O-CB 3.22Å; A522-S525 PolarHBondContact O-N 2.55Å; A522-L526 WeakPolarHBondContact O-CG 3.45Å; A522-L526 PolarHBondContact O-N 2.76Å; A522-W538 HydrophobicContact CB-CB 3.82Å; A522-W538 HydrophobicContact CB-CD2 4.12Å; A522-W538 HydrophobicContact CB-CG 3.74Å | ||
| 523 | P | 96.5 | Very high | 90.6 | Very high | 18 Ų | 18 | 49.7 Ų | 49.7 | 12% | 0.117 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.2 | -41.2 | -179.3 | -26.6 | 34 | 0 | 0 | 0 | 113.8 | L526 H527 W538 I567 | P523-L526 PolarHBondContact O-N 2.73Å; P523-H527 PolarHBondContact O-N 2.76Å; P523-H527 PolarHBondContact O-ND1 3.33Å; P523-W538 VanDerWaalsContact CD-CZ3 3.41Å; P523-W538 HydrophobicContact CG-CE3 4.23Å; P523-W538 HydrophobicContact CG-CH2 3.6Å; P523-W538 HydrophobicContact CG-CZ2 4.2Å; P523-W538 HydrophobicContact CG-CZ3 3.6Å; P523-I567 HydrophobicContact CG-CG2 3.91Å |
| 524 | E | 95.4 | Very high | 92.1 | Very high | 23 Ų | 23 | 47.1 Ų | 47.1 | 11% | 0.107 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.8 | -32.1 | 177.5 | 70.6 | -75.1 | -179.1 | 0 | 0 | 112.9 | A522 Q528 R530 S535 R598 | A522-E524 VanDerWaalsContact C-N 3.3Å; A522-E524 VanDerWaalsContact CB-OE1 3.26Å; A522-E524 WeakPolarHBondContact CB-OE1 3.47Å; A522-E524 WeakPolarHBondContact CB-OE2 3.35Å; A522-E524 PolarHBondContact O-N 3.15Å; E524-Q528 WeakPolarHBondContact O-CA 3.45Å; E524-Q528 WeakPolarHBondContact O-CB 3.15Å; E524-Q528 PolarHBondContact O-N 3.05Å; E524-R530 PolarHBondContact O-N 3.16Å; E524-S535 WeakPolarHBondContact OE1-CB 3.4Å; E524-R598 IonicContact OE1-CZ 2.7Å; E524-R598 IonicContact OE1-NH1 2.68Å; E524-R598 PolarHBondContact OE1-NH1 3.43Å; E524-R598 IonicContact OE1-NH2 2.7Å; E524-R598 IonicContact OE2-CZ 2.8Å; E524-R598 IonicContact OE2-NH1 2.71Å; E524-R598 PolarHBondContact OE2-NH1 3.43Å; E524-R598 IonicContact OE2-NH2 3.37Å; E524-R598 PolarHBondContact OE2-NH2 3Å |
| 525 | S | 95.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.007 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.2 | -32.8 | 173.4 | -49.3 | 0 | 0 | 0 | 0 | 111.8 | M521 A522 R529 R530 S535 | M521-S525 VanDerWaalsContact CE-O 3.27Å; M521-S525 WeakPolarHBondContact CE-O 3.41Å; A522-S525 WeakPolarHBondContact O-CA 3.48Å; A522-S525 WeakPolarHBondContact O-CB 3.22Å; A522-S525 PolarHBondContact O-N 2.55Å; S525-R529 VanDerWaalsContact O-CA 3.26Å; S525-R529 WeakPolarHBondContact O-CA 3.33Å; S525-R529 PolarHBondContact O-N 3.3Å; S525-R530 WeakPolarHBondContact CA-O 3.42Å; S525-R530 WeakPolarHBondContact CB-O 3.26Å; S525-R530 PolarHBondContact N-O 3Å; S525-R530 PolarHBondContact OG-O 3.22Å; S525-S535 VanDerWaalsContact OG-CB 3.29Å; S525-S535 WeakPolarHBondContact OG-CB 3.26Å |
| 526 | L | 93.3 | Very high | 94.5 | Very high | 33 Ų | 33 | 34.4 Ų | 34.4 | 17% | 0.173 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -71.9 | -49.4 | 175.9 | -70.9 | 165.3 | 0 | 0 | 0 | 112 | I518 M521 A522 P523 V564 I567 | I518-L526 HydrophobicContact CD1-CD2 4.07Å; I518-L526 HydrophobicContact CG2-CD2 3.95Å; M521-L526 HydrophobicContact CB-CD1 4.35Å; M521-L526 HydrophobicContact CB-CD2 3.85Å; M521-L526 HydrophobicContact CB-CG 3.79Å; M521-L526 HydrophobicContact CE-CD2 4.11Å; M521-L526 HydrophobicContact CE-CG 4.46Å; M521-L526 HydrophobicContact CG-CD2 4.5Å; M521-L526 HydrophobicContact SD-CD2 3.95Å; A522-L526 WeakPolarHBondContact O-CG 3.45Å; A522-L526 PolarHBondContact O-N 2.76Å; P523-L526 PolarHBondContact O-N 2.73Å; L526-V564 HydrophobicContact CD1-CG2 4.3Å; L526-V564 HydrophobicContact CD2-CG2 3.96Å; L526-I567 HydrophobicContact CD1-CD1 4.3Å; L526-I567 HydrophobicContact CD1-CG2 4.31Å |
| 527 | H | 88.9 | Confident | 95.2 | Very high | 124 Ų | 124 | 33.1 Ų | 33.1 | 57% | 0.574 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -80.3 | -38.9 | -175.3 | -67.3 | 86.9 | 0 | 0 | 0 | 113.7 | P523 | P523-H527 PolarHBondContact O-N 2.76Å; P523-H527 PolarHBondContact O-ND1 3.33Å |
| 528 | Q | 88.3 | Confident | 95.5 | Very high | 106 Ų | 106 | 32.4 Ų | 32.4 | 50% | 0.495 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -115 | -3.6 | -169.6 | -59.2 | -180 | -7.5 | 0 | 0 | 113.6 | Q509 E524 R530 | Q509-Q528 WeakPolarHBondContact CG-O 3.38Å; Q509-Q528 PolarHBondContact NE2-O 3.32Å; E524-Q528 WeakPolarHBondContact O-CA 3.45Å; E524-Q528 WeakPolarHBondContact O-CB 3.15Å; E524-Q528 PolarHBondContact O-N 3.05Å; Q528-R530 HydrophobicContact CB-CB 4.14Å; Q528-R530 PolarHBondContact O-N 2.99Å |
| 529 | R | 90 | Very high | 95.6 | Very high | 74 Ų | 74 | 30.4 Ų | 30.4 | 28% | 0.279 | 14% | 0.144 | S | C | . | . | trans | 54.6 | 28 | -166.1 | -65.1 | -169.8 | 173.3 | -123 | -13.3 | 113.4 | Q509 A510 E511 S525 F531 | Q509-R529 WeakPolarHBondContact CA-O 3.37Å; A510-R529 HydrophobicContact CB-CB 4.29Å; A510-R529 PolarHBondContact N-O 2.66Å; A510-R529 WeakPolarHBondContact O-CB 3.48Å; A510-R529 VanDerWaalsContact O-CD 3.31Å; A510-R529 WeakPolarHBondContact O-CD 3.4Å; E511-R529 WeakPolarHBondContact O-CD 3.21Å; E511-R529 PolarHBondContact O-NH1 2.94Å; S525-R529 VanDerWaalsContact O-CA 3.26Å; S525-R529 WeakPolarHBondContact O-CA 3.33Å; S525-R529 PolarHBondContact O-N 3.3Å; R529-F531 WeakPolarHBondContact O-CD2 3.42Å; R529-F531 WeakPolarHBondContact O-CE2 2.98Å | ||
| 530 | R | 92 | Very high | 95.7 | Very high | 108 Ų | 108 | 29.1 Ų | 29.1 | 41% | 0.408 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 130.6 | -179.6 | -161.2 | 173.4 | -169 | -177.8 | -2.8 | 111 | D507 F508 E524 S525 Q528 | D507-R530 HydrophobicContact CB-CG 4.26Å; D507-R530 IonicContact OD1-CZ 3.81Å; D507-R530 IonicContact OD1-NE 3.59Å; D507-R530 IonicContact OD1-NH2 3.74Å; D507-R530 PolarHBondContact OD1-NH2 2.93Å; D507-R530 IonicContact OD2-CZ 3.92Å; D507-R530 IonicContact OD2-NE 2.8Å; D507-R530 PolarHBondContact OD2-NE 3.37Å; D507-R530 IonicContact OD2-NH2 3.18Å; D507-R530 PolarHBondContact OD2-NH2 2.83Å; F508-R530 CarbonylContact O-C 3.48Å; F508-R530 WeakPolarHBondContact O-CA 3.46Å; E524-R530 PolarHBondContact O-N 3.16Å; S525-R530 WeakPolarHBondContact CA-O 3.42Å; S525-R530 WeakPolarHBondContact CB-O 3.26Å; S525-R530 PolarHBondContact N-O 3Å; S525-R530 PolarHBondContact OG-O 3.22Å; Q528-R530 HydrophobicContact CB-CB 4.14Å; Q528-R530 PolarHBondContact O-N 2.99Å |
| 531 | F | 94.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 1% | 0.013 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 139.9 | -178.1 | -64.9 | -92.3 | 0 | 0 | 0 | 110.7 | V474 R476 D507 F508 A510 M516 M521 R529 S535 M539 | V474-F531 HydrophobicContact CG1-CB 4.36Å; R476-F531 HydrophobicContact CB-CD1 3.78Å; R476-F531 HydrophobicContact CB-CE1 4.01Å; R476-F531 HydrophobicContact CB-CG 4.5Å; R476-F531 HydrophobicContact CG-CB 3.97Å; R476-F531 HydrophobicContact CG-CD1 3.64Å; R476-F531 HydrophobicContact CG-CE1 4.34Å; R476-F531 HydrophobicContact CG-CG 3.94Å; D507-F531 CarbonylContact C-O 3.53Å; D507-F531 WeakPolarHBondContact CA-O 3.48Å; D507-F531 WeakPolarHBondContact CB-O 3.33Å; F508-F531 PolarHBondContact N-O 3.43Å; F508-F531 PolarHBondContact O-N 3.15Å; A510-F531 HydrophobicContact CB-CD2 4.03Å; A510-F531 HydrophobicContact CB-CE2 3.66Å; M516-F531 HydrophobicContact SD-CZ 4.02Å; M521-F531 HydrophobicContact CE-CE1 4.4Å; M521-F531 HydrophobicContact CE-CZ 4.03Å; R529-F531 WeakPolarHBondContact O-CD2 3.42Å; R529-F531 WeakPolarHBondContact O-CE2 2.98Å; F531-S535 WeakPolarHBondContact CA-OG 3.07Å; F531-M539 HydrophobicContact CD1-CE 4.12Å; F531-M539 HydrophobicContact CE1-CE 4Å |
| 532 | S | 96 | Very high | 95.8 | Very high | 20 Ų | 20 | 27.5 Ų | 27.5 | 14% | 0.14 | 13% | 0.132 | C | C | . | . | trans | -159.6 | 175.6 | 178.6 | 66.8 | 0 | 0 | 0 | 0 | 110.1 | V474 N506 A534 S535 D536 | V474-S532 WeakPolarHBondContact CG1-O 3.31Å; N506-S532 VanDerWaalsContact O-CB 3.29Å; N506-S532 WeakPolarHBondContact O-CB 3.5Å; S532-A534 PolarHBondContact O-N 3.35Å; S532-A534 VanDerWaalsContact O-N 3.09Å; S532-A534 PolarHBondContact OG-N 2.95Å; S532-S535 PolarHBondContact N-OG 3.36Å; S532-S535 PolarHBondContact O-N 3.29Å; S532-S535 PolarHBondContact O-OG 3.05Å; S532-D536 PolarHBondContact O-N 3.39Å; S532-D536 VanDerWaalsContact O-N 3.1Å | ||
| 533 | S | 97.1 | Very high | 95.9 | Very high | 32 Ų | 32 | 27.5 Ų | 27.5 | 22% | 0.224 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -54.1 | -30.3 | 171.5 | -44 | 0 | 0 | 0 | 0 | 112.5 | D536 V537 | S533-D536 PolarHBondContact O-N 3.05Å; S533-V537 WeakPolarHBondContact O-CG2 3.35Å; S533-V537 PolarHBondContact O-N 3.43Å |
| 534 | A | 98.1 | Very high | 95.9 | Very high | 22 Ų | 22 | 26.6 Ų | 26.6 | 18% | 0.182 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -73.7 | -29.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S532 W538 P595 R598 | S532-A534 PolarHBondContact O-N 3.35Å; S532-A534 VanDerWaalsContact O-N 3.09Å; S532-A534 PolarHBondContact OG-N 2.95Å; A534-W538 PolarHBondContact O-N 3.47Å; A534-P595 HydrophobicContact CB-CB 3.81Å; A534-P595 WeakPolarHBondContact CB-O 3.18Å; A534-R598 VanDerWaalsContact O-CD 3.31Å; A534-R598 WeakPolarHBondContact O-CD 3.23Å; A534-R598 PolarHBondContact O-NH1 2.6Å |
| 535 | S | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -72.9 | -35 | 170.2 | 66 | 0 | 0 | 0 | 0 | 111.3 | E524 S525 F531 S532 W538 M539 | E524-S535 WeakPolarHBondContact OE1-CB 3.4Å; S525-S535 VanDerWaalsContact OG-CB 3.29Å; S525-S535 WeakPolarHBondContact OG-CB 3.26Å; F531-S535 WeakPolarHBondContact CA-OG 3.07Å; S532-S535 PolarHBondContact N-OG 3.36Å; S532-S535 PolarHBondContact O-N 3.29Å; S532-S535 PolarHBondContact O-OG 3.05Å; S535-W538 WeakPolarHBondContact O-CB 3.22Å; S535-W538 PolarHBondContact O-N 3.46Å; S535-M539 WeakPolarHBondContact O-CG 3.43Å; S535-M539 PolarHBondContact O-N 3.35Å; S535-M539 VanDerWaalsContact O-N 3.14Å |
| 536 | D | 98.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.011 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67 | -36.6 | 174.2 | -83.5 | 11.7 | 0 | 0 | 0 | 112 | V474 H475 R476 I478 S532 S533 W538 M539 F540 F601 | V474-D536 WeakPolarHBondContact CA-OD2 3.46Å; V474-D536 VanDerWaalsContact CG1-CG 3.48Å; V474-D536 WeakPolarHBondContact CG1-OD1 3.25Å; V474-D536 WeakPolarHBondContact CG1-OD2 3.43Å; H475-D536 PolarHBondContact N-OD2 2.93Å; R476-D536 WeakPolarHBondContact CA-OD1 3.48Å; R476-D536 PolarHBondContact N-OD1 2.92Å; I478-D536 HydrophobicContact CD1-CB 3.54Å; S532-D536 PolarHBondContact O-N 3.39Å; S532-D536 VanDerWaalsContact O-N 3.1Å; S533-D536 PolarHBondContact O-N 3.05Å; D536-W538 VanDerWaalsContact C-N 3.29Å; D536-W538 PolarHBondContact O-N 2.98Å; D536-M539 PolarHBondContact O-N 3.25Å; D536-F540 WeakPolarHBondContact O-CB 3.44Å; D536-F540 PolarHBondContact O-N 3.4Å; D536-F601 HydrophobicContact CB-CE2 3.94Å; D536-F601 HydrophobicContact CB-CZ 3.93Å |
| 537 | V | 98.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.012 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.2 | -39.7 | 172.5 | 163.4 | 0 | 0 | 0 | 0 | 111.8 | S533 F540 G541 C590 R598 P599 F601 L604 | S533-V537 WeakPolarHBondContact O-CG2 3.35Å; S533-V537 PolarHBondContact O-N 3.43Å; V537-F540 PolarHBondContact O-N 3.45Å; V537-G541 PolarHBondContact O-N 3.16Å; V537-C590 HydrophobicContact CG1-CB 3.96Å; V537-R598 HydrophobicContact CG1-CB 3.99Å; V537-P599 WeakPolarHBondContact CG1-O 3.44Å; V537-P599 WeakPolarHBondContact CG2-O 3.42Å; V537-F601 HydrophobicContact CB-CZ 4.32Å; V537-F601 HydrophobicContact CG2-CD1 4.1Å; V537-F601 HydrophobicContact CG2-CD2 4Å; V537-F601 HydrophobicContact CG2-CE1 3.82Å; V537-F601 HydrophobicContact CG2-CE2 3.75Å; V537-F601 HydrophobicContact CG2-CG 4.2Å; V537-F601 HydrophobicContact CG2-CZ 3.67Å; V537-L604 HydrophobicContact CG1-CD1 4.17Å; V537-L604 HydrophobicContact CG2-CD1 4.41Å |
| 538 | W | 98.7 | Very high | 96.8 | Very high | 7 Ų | 7 | 19.7 Ų | 19.7 | 3% | 0.027 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.4 | -48.1 | 173.9 | 172.5 | -69 | 0 | 0 | 0 | 111.2 | W520 M521 A522 P523 A534 S535 D536 F540 G541 V542 I567 R572 W591 | W520-W538 PolarHBondContact O-NE1 3.22Å; M521-W538 PolarHBondContact O-NE1 3.33Å; A522-W538 HydrophobicContact CB-CB 3.82Å; A522-W538 HydrophobicContact CB-CD2 4.12Å; A522-W538 HydrophobicContact CB-CG 3.74Å; P523-W538 VanDerWaalsContact CD-CZ3 3.41Å; P523-W538 HydrophobicContact CG-CE3 4.23Å; P523-W538 HydrophobicContact CG-CH2 3.6Å; P523-W538 HydrophobicContact CG-CZ2 4.2Å; P523-W538 HydrophobicContact CG-CZ3 3.6Å; A534-W538 PolarHBondContact O-N 3.47Å; S535-W538 WeakPolarHBondContact O-CB 3.22Å; S535-W538 PolarHBondContact O-N 3.46Å; D536-W538 VanDerWaalsContact C-N 3.29Å; D536-W538 PolarHBondContact O-N 2.98Å; W538-F540 VanDerWaalsContact C-N 3.29Å; W538-F540 PolarHBondContact O-N 3.34Å; W538-G541 WeakPolarHBondContact O-CA 3.26Å; W538-G541 PolarHBondContact O-N 3.11Å; W538-G541 VanDerWaalsContact O-N 3.09Å; W538-V542 PolarHBondContact O-N 3.04Å; W538-I567 HydrophobicContact CH2-CG2 3.92Å; W538-I567 HydrophobicContact CZ2-CG2 3.81Å; W538-R572 VanDerWaalsContact CH2-CZ 3.47Å; W538-W591 HydrophobicContact CD2-CB 4.49Å; W538-W591 AromaticContact CD2-CD1 3.76Å; W538-W591 HydrophobicContact CD2-CG 4.48Å; W538-W591 AromaticContact CE2-CD1 3.98Å; W538-W591 VanDerWaalsContact CE3-CA 3.49Å; W538-W591 HydrophobicContact CE3-CB 4Å; W538-W591 HydrophobicContact CE3-CG 4.46Å; W538-W591 HydrophobicContact CH2-CB 4.23Å; W538-W591 HydrophobicContact CZ3-CB 3.86Å; W538-W591 VanDerWaalsContact CZ3-O 3.27Å; W538-W591 WeakPolarHBondContact CZ3-O 3.38Å; W538-W591 PolarHBondContact O-NE1 2.9Å |
| 539 | M | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.2 | -39.6 | 177.5 | -64 | 173.7 | -167 | 0 | 0 | 111.4 | R476 I478 W520 M521 F531 S535 D536 V542 C543 | R476-M539 WeakPolarHBondContact O-CE 3.42Å; I478-M539 HydrophobicContact CB-CB 3.85Å; I478-M539 HydrophobicContact CD1-CB 4.49Å; W520-M539 VanDerWaalsContact O-CG 3.29Å; W520-M539 WeakPolarHBondContact O-CG 3.29Å; M521-M539 HydrophobicContact CG-CE 4.44Å; F531-M539 HydrophobicContact CD1-CE 4.12Å; F531-M539 HydrophobicContact CE1-CE 4Å; S535-M539 WeakPolarHBondContact O-CG 3.43Å; S535-M539 PolarHBondContact O-N 3.35Å; S535-M539 VanDerWaalsContact O-N 3.14Å; D536-M539 PolarHBondContact O-N 3.25Å; M539-V542 CarbonylContact O-C 3.54Å; M539-V542 WeakPolarHBondContact O-CB 3.27Å; M539-V542 PolarHBondContact O-N 2.86Å; M539-C543 WeakPolarHBondContact O-CB 3.33Å; M539-C543 PolarHBondContact O-N 3.25Å |
| 540 | F | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.5 | -38.5 | 173.8 | 175.7 | -115.5 | 0 | 0 | 0 | 112.7 | I461 V462 L465 I478 D536 V537 W538 V542 C543 I544 F601 L604 I608 | I461-F540 HydrophobicContact CB-CE2 4.18Å; I461-F540 HydrophobicContact CG2-CD2 4.05Å; I461-F540 HydrophobicContact CG2-CE2 3.91Å; V462-F540 HydrophobicContact CB-CE1 3.97Å; V462-F540 HydrophobicContact CB-CE2 4.26Å; V462-F540 HydrophobicContact CB-CZ 3.53Å; V462-F540 HydrophobicContact CG2-CD1 4.38Å; V462-F540 HydrophobicContact CG2-CE1 3.56Å; V462-F540 HydrophobicContact CG2-CZ 3.69Å; L465-F540 HydrophobicContact CD1-CB 3.84Å; L465-F540 HydrophobicContact CD1-CD2 3.39Å; L465-F540 HydrophobicContact CD1-CE2 4.11Å; L465-F540 HydrophobicContact CD1-CG 3.68Å; I478-F540 HydrophobicContact CG2-CB 4.39Å; D536-F540 WeakPolarHBondContact O-CB 3.44Å; D536-F540 PolarHBondContact O-N 3.4Å; V537-F540 PolarHBondContact O-N 3.45Å; W538-F540 VanDerWaalsContact C-N 3.29Å; W538-F540 PolarHBondContact O-N 3.34Å; F540-V542 VanDerWaalsContact C-N 3.33Å; F540-V542 PolarHBondContact O-N 2.92Å; F540-C543 WeakPolarHBondContact O-CB 3.25Å; F540-C543 PolarHBondContact O-N 2.92Å; F540-C543 VanDerWaalsContact O-N 3.14Å; F540-I544 HydrophobicContact CD1-CD1 4.07Å; F540-I544 HydrophobicContact CD2-CG1 4.44Å; F540-I544 HydrophobicContact CE1-CD1 3.44Å; F540-I544 VanDerWaalsContact CE1-CD1 3.44Å; F540-I544 HydrophobicContact CE1-CG1 4.19Å; F540-I544 HydrophobicContact CE2-CD1 4.11Å; F540-I544 HydrophobicContact CE2-CG1 3.93Å; F540-I544 HydrophobicContact CZ-CD1 3.45Å; F540-I544 VanDerWaalsContact CZ-CD1 3.45Å; F540-I544 HydrophobicContact CZ-CG1 3.78Å; F540-I544 PolarHBondContact O-N 2.93Å; F540-F601 HydrophobicContact CB-CE1 3.68Å; F540-F601 HydrophobicContact CB-CZ 4.17Å; F540-F601 HydrophobicContact CD1-CD1 4.26Å; F540-F601 AromaticContact CD1-CE1 3.78Å; F540-F601 HydrophobicContact CD1-CE1 3.78Å; F540-F601 AromaticContact CG-CE1 3.78Å; F540-F601 HydrophobicContact CG-CE1 3.78Å; F540-L604 HydrophobicContact CD1-CD1 4.08Å; F540-L604 HydrophobicContact CE1-CD1 4.19Å; F540-I608 HydrophobicContact CE1-CD1 3.89Å; F540-I608 HydrophobicContact CZ-CD1 3.98Å |
| 541 | G | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -58.7 | -43.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V537 W538 C543 I544 W545 W591 | V537-G541 PolarHBondContact O-N 3.16Å; W538-G541 WeakPolarHBondContact O-CA 3.26Å; W538-G541 PolarHBondContact O-N 3.11Å; W538-G541 VanDerWaalsContact O-N 3.09Å; G541-C543 VanDerWaalsContact C-N 3.33Å; G541-C543 PolarHBondContact O-N 3.09Å; G541-I544 PolarHBondContact O-N 2.92Å; G541-W545 PolarHBondContact O-N 3.2Å; G541-W545 VanDerWaalsContact O-N 3.12Å; G541-W591 WeakPolarHBondContact O-CZ2 3.02Å |
| 542 | V | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 13.2 Ų | 13.2 | 1% | 0.012 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.3 | -37.5 | 173.3 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | W520 W538 M539 F540 W545 E546 P554 L573 W591 | W520-V542 HydrophobicContact CG-CG1 4.09Å; W538-V542 PolarHBondContact O-N 3.04Å; M539-V542 CarbonylContact O-C 3.54Å; M539-V542 WeakPolarHBondContact O-CB 3.27Å; M539-V542 PolarHBondContact O-N 2.86Å; F540-V542 VanDerWaalsContact C-N 3.33Å; F540-V542 PolarHBondContact O-N 2.92Å; V542-W545 WeakPolarHBondContact O-CA 3.14Å; V542-W545 WeakPolarHBondContact O-CB 3.39Å; V542-W545 PolarHBondContact O-N 2.93Å; V542-E546 PolarHBondContact O-N 3.38Å; V542-P554 HydrophobicContact CG1-CB 3.73Å; V542-P554 HydrophobicContact CG1-CG 3.71Å; V542-L573 HydrophobicContact CG1-CD1 4.11Å; V542-L573 HydrophobicContact CG2-CD1 4.29Å; V542-W591 HydrophobicContact CG2-CZ2 4.43Å |
| 543 | C | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -67.5 | -41 | 178 | -174.1 | 0 | 0 | 0 | 0 | 112.8 | I478 I483 M539 F540 G541 W545 E546 I547 | I478-C543 HydrophobicContact CG2-CB 4.09Å; I483-C543 WeakPolarHBondContact CD1-SG 3.43Å; M539-C543 WeakPolarHBondContact O-CB 3.33Å; M539-C543 PolarHBondContact O-N 3.25Å; F540-C543 WeakPolarHBondContact O-CB 3.25Å; F540-C543 PolarHBondContact O-N 2.92Å; F540-C543 VanDerWaalsContact O-N 3.14Å; G541-C543 VanDerWaalsContact C-N 3.33Å; G541-C543 PolarHBondContact O-N 3.09Å; C543-W545 VanDerWaalsContact C-N 3.25Å; C543-W545 PolarHBondContact O-N 3.42Å; C543-E546 PolarHBondContact O-N 2.93Å; C543-I547 VanDerWaalsContact O-CG1 3.3Å; C543-I547 WeakPolarHBondContact O-CG1 3.4Å; C543-I547 PolarHBondContact O-N 3.13Å |
| 544 | I | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.2 | -40 | 170.2 | -64.5 | 167.2 | 0 | 0 | 0 | 110.1 | F540 G541 I547 L548 L583 L587 I608 | F540-I544 HydrophobicContact CD1-CD1 4.07Å; F540-I544 HydrophobicContact CD2-CG1 4.44Å; F540-I544 HydrophobicContact CE1-CD1 3.44Å; F540-I544 VanDerWaalsContact CE1-CD1 3.44Å; F540-I544 HydrophobicContact CE1-CG1 4.19Å; F540-I544 HydrophobicContact CE2-CD1 4.11Å; F540-I544 HydrophobicContact CE2-CG1 3.93Å; F540-I544 HydrophobicContact CZ-CD1 3.45Å; F540-I544 VanDerWaalsContact CZ-CD1 3.45Å; F540-I544 HydrophobicContact CZ-CG1 3.78Å; F540-I544 PolarHBondContact O-N 2.93Å; G541-I544 PolarHBondContact O-N 2.92Å; I544-I547 PolarHBondContact O-N 3.4Å; I544-L548 HydrophobicContact CG2-CD1 3.59Å; I544-L548 HydrophobicContact CG2-CG 4.05Å; I544-L548 WeakPolarHBondContact O-CG 3.42Å; I544-L548 PolarHBondContact O-N 3.04Å; I544-L583 HydrophobicContact CG2-CD2 4.27Å; I544-L587 HydrophobicContact CB-CD2 3.73Å; I544-L587 HydrophobicContact CD1-CD2 3.72Å; I544-L587 HydrophobicContact CG1-CD2 4.33Å; I544-L587 HydrophobicContact CG2-CD1 4.26Å; I544-L587 HydrophobicContact CG2-CD2 3.8Å; I544-I608 HydrophobicContact CD1-CD1 4.12Å |
| 545 | W | 98.2 | Very high | 97.6 | Very high | 27 Ų | 27 | 16 Ų | 16 | 10% | 0.102 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.3 | -42.1 | 175.7 | -173.9 | 96.6 | 0 | 0 | 0 | 112.3 | G541 V542 C543 I547 L548 S549 V552 P554 L573 E574 P576 W591 | G541-W545 PolarHBondContact O-N 3.2Å; G541-W545 VanDerWaalsContact O-N 3.12Å; V542-W545 WeakPolarHBondContact O-CA 3.14Å; V542-W545 WeakPolarHBondContact O-CB 3.39Å; V542-W545 PolarHBondContact O-N 2.93Å; C543-W545 VanDerWaalsContact C-N 3.25Å; C543-W545 PolarHBondContact O-N 3.42Å; W545-I547 VanDerWaalsContact C-N 3.32Å; W545-I547 PolarHBondContact O-N 2.94Å; W545-L548 PolarHBondContact O-N 2.66Å; W545-S549 WeakPolarHBondContact CZ3-OG 3.47Å; W545-S549 VanDerWaalsContact O-CB 3.26Å; W545-S549 WeakPolarHBondContact O-CB 3.22Å; W545-S549 PolarHBondContact O-N 2.6Å; W545-S549 PolarHBondContact O-OG 3.38Å; W545-V552 HydrophobicContact CH2-CB 4.33Å; W545-V552 HydrophobicContact CH2-CG1 3.88Å; W545-V552 HydrophobicContact CZ3-CB 4.39Å; W545-V552 HydrophobicContact CZ3-CG1 4.24Å; W545-P554 HydrophobicContact CE3-CB 4.41Å; W545-P554 HydrophobicContact CZ3-CB 4.33Å; W545-L573 HydrophobicContact CB-CD1 4.28Å; W545-L573 HydrophobicContact CD2-CB 4.17Å; W545-L573 HydrophobicContact CD2-CD1 3.86Å; W545-L573 HydrophobicContact CD2-CG 4.41Å; W545-L573 HydrophobicContact CE3-CD1 4.13Å; W545-L573 HydrophobicContact CG-CB 4.1Å; W545-L573 HydrophobicContact CG-CD1 3.92Å; W545-L573 HydrophobicContact CH2-CD2 4.47Å; W545-L573 HydrophobicContact CZ2-CB 4.49Å; W545-L573 HydrophobicContact CZ2-CD2 4.29Å; W545-E574 PolarHBondContact NE1-O 3.16Å; W545-P576 HydrophobicContact CG-CG 4.16Å; W545-W591 HydrophobicContact CB-CH2 4.1Å; W545-W591 HydrophobicContact CB-CZ2 4.05Å; W545-W591 AromaticContact CD1-CH2 3.95Å; W545-W591 HydrophobicContact CG-CH2 4.25Å |
| 546 | E | 98 | Very high | 97.4 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.6 | -40.1 | 171.9 | -72.4 | -172.4 | 102.7 | 0 | 0 | 112.1 | A480 W520 V542 C543 S549 K550 G551 | A480-E546 HydrophobicContact CB-CB 3.76Å; A480-E546 HydrophobicContact CB-CG 4.37Å; A480-E546 PolarHBondContact N-OE2 3.31Å; W520-E546 WeakPolarHBondContact CZ2-OE1 3.48Å; W520-E546 VanDerWaalsContact NE1-CD 3.27Å; W520-E546 PolarHBondContact NE1-OE2 2.69Å; V542-E546 PolarHBondContact O-N 3.38Å; C543-E546 PolarHBondContact O-N 2.93Å; E546-S549 WeakPolarHBondContact CA-OG 3.45Å; E546-S549 PolarHBondContact O-OG 3.1Å; E546-K550 PolarHBondContact O-N 2.91Å; E546-K550 VanDerWaalsContact O-N 3.17Å; E546-G551 PolarHBondContact O-N 3.47Å |
| 547 | I | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.1 | -48.3 | 179.2 | -70.3 | 167.2 | 0 | 0 | 0 | 110.7 | L438 L442 L454 C543 I544 W545 K550 | L438-I547 HydrophobicContact CD2-CD1 4.04Å; L438-I547 HydrophobicContact CD2-CG1 3.97Å; L442-I547 HydrophobicContact CD1-CG1 4.3Å; L454-I547 HydrophobicContact CB-CG2 3.9Å; L454-I547 HydrophobicContact CD2-CG2 4.01Å; L454-I547 WeakPolarHBondContact O-CG2 3.48Å; C543-I547 VanDerWaalsContact O-CG1 3.3Å; C543-I547 WeakPolarHBondContact O-CG1 3.4Å; C543-I547 PolarHBondContact O-N 3.13Å; I544-I547 PolarHBondContact O-N 3.4Å; W545-I547 VanDerWaalsContact C-N 3.32Å; W545-I547 PolarHBondContact O-N 2.94Å; I547-K550 PolarHBondContact O-N 3.29Å |
| 548 | L | 96.5 | Very high | 97 | Very high | 8 Ų | 8 | 27.8 Ų | 27.8 | 4% | 0.042 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -70.9 | -36 | -178.9 | -66.1 | 171 | 0 | 0 | 0 | 112.9 | I451 L454 I544 W545 K550 P576 C579 L583 | I451-L548 HydrophobicContact CD1-CD2 3.6Å; L454-L548 HydrophobicContact CB-CD2 4.16Å; I544-L548 HydrophobicContact CG2-CD1 3.59Å; I544-L548 HydrophobicContact CG2-CG 4.05Å; I544-L548 WeakPolarHBondContact O-CG 3.42Å; I544-L548 PolarHBondContact O-N 3.04Å; W545-L548 PolarHBondContact O-N 2.66Å; L548-K550 PolarHBondContact O-N 3.24Å; L548-P576 HydrophobicContact CB-CB 4.1Å; L548-P576 HydrophobicContact CB-CG 4.03Å; L548-C579 HydrophobicContact CD1-CB 4.25Å; L548-L583 HydrophobicContact CD1-CD2 3.75Å; L548-L583 HydrophobicContact CD1-CG 4.48Å; L548-L583 HydrophobicContact CD2-CD2 4.44Å |
| 549 | S | 96.1 | Very high | 96.9 | Very high | 23 Ų | 23 | 31.2 Ų | 31.2 | 16% | 0.161 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 10.2 | 172 | 66 | 0 | 0 | 0 | 0 | 113.7 | W545 E546 G551 V552 | W545-S549 WeakPolarHBondContact CZ3-OG 3.47Å; W545-S549 VanDerWaalsContact O-CB 3.26Å; W545-S549 WeakPolarHBondContact O-CB 3.22Å; W545-S549 PolarHBondContact O-N 2.6Å; W545-S549 PolarHBondContact O-OG 3.38Å; E546-S549 WeakPolarHBondContact CA-OG 3.45Å; E546-S549 PolarHBondContact O-OG 3.1Å; S549-G551 VanDerWaalsContact C-N 3.3Å; S549-G551 PolarHBondContact O-N 3.05Å; S549-V552 WeakPolarHBondContact O-CG2 3.38Å; S549-V552 PolarHBondContact O-N 3.11Å |
| 550 | K | 95.7 | Very high | 96.7 | Very high | 61 Ų | 61 | 35.3 Ų | 35.3 | 27% | 0.265 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 38.3 | 173.4 | -58.5 | -179.2 | 171.1 | -170.4 | 0 | 114 | I443 Q446 L449 L454 E546 I547 L548 | I443-K550 VanDerWaalsContact CG1-O 3.32Å; I443-K550 WeakPolarHBondContact CG1-O 3.09Å; Q446-K550 HydrophobicContact CB-CB 4.42Å; Q446-K550 HydrophobicContact CB-CD 4.14Å; Q446-K550 WeakPolarHBondContact O-CD 3.33Å; Q446-K550 PolarHBondContact O-NZ 2.78Å; L449-K550 PolarHBondContact O-NZ 3.48Å; L454-K550 HydrophobicContact CD1-CG 4.31Å; E546-K550 PolarHBondContact O-N 2.91Å; E546-K550 VanDerWaalsContact O-N 3.17Å; I547-K550 PolarHBondContact O-N 3.29Å; L548-K550 PolarHBondContact O-N 3.24Å |
| 551 | G | 95.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | 9.8 | 173 | 0 | 0 | 0 | 0 | 0 | 115.5 | R439 E546 S549 | R439-G551 VanDerWaalsContact CZ-O 3.25Å; R439-G551 PolarHBondContact NE-O 2.94Å; R439-G551 PolarHBondContact NH2-O 3.31Å; E546-G551 PolarHBondContact O-N 3.47Å; S549-G551 VanDerWaalsContact C-N 3.3Å; S549-G551 PolarHBondContact O-N 3.05Å |
| 552 | V | 96 | Very high | 96.5 | Very high | 69 Ų | 69 | 42.8 Ų | 42.8 | 42% | 0.418 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -59 | 139.5 | 165.1 | 176.2 | 0 | 0 | 0 | 0 | 109.2 | W545 S549 | W545-V552 HydrophobicContact CH2-CB 4.33Å; W545-V552 HydrophobicContact CH2-CG1 3.88Å; W545-V552 HydrophobicContact CZ3-CB 4.39Å; W545-V552 HydrophobicContact CZ3-CG1 4.24Å; S549-V552 WeakPolarHBondContact O-CG2 3.38Å; S549-V552 PolarHBondContact O-N 3.11Å |
| 553 | K | 96.3 | Very high | 96.4 | Very high | 112 Ų | 112 | 42.7 Ų | 42.7 | 49% | 0.487 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -77.8 | 138 | 178.7 | -64.6 | -179.4 | -179.3 | 178.2 | 0 | 109.8 | S556 | K553-S556 WeakPolarHBondContact O-CB 3.23Å; K553-S556 PolarHBondContact O-N 2.88Å |
| 554 | P | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 141.2 | 176.6 | 26.9 | -35.6 | 0 | 0 | 0 | 110.7 | K519 W520 V542 W545 S556 L573 | K519-P554 HydrophobicContact CB-CG 4.16Å; K519-P554 VanDerWaalsContact CD-O 3.26Å; K519-P554 WeakPolarHBondContact CD-O 3.46Å; W520-P554 HydrophobicContact CD2-CG 3.94Å; W520-P554 HydrophobicContact CE3-CG 4.3Å; W520-P554 HydrophobicContact CH2-CG 4.12Å; W520-P554 HydrophobicContact CZ2-CG 3.75Å; W520-P554 HydrophobicContact CZ3-CG 4.38Å; V542-P554 HydrophobicContact CG1-CB 3.73Å; V542-P554 HydrophobicContact CG1-CG 3.71Å; W545-P554 HydrophobicContact CE3-CB 4.41Å; W545-P554 HydrophobicContact CZ3-CB 4.33Å; P554-S556 PolarHBondContact O-N 2.87Å; P554-S556 VanDerWaalsContact O-N 3.16Å; P554-L573 HydrophobicContact CB-CD1 3.8Å; P554-L573 HydrophobicContact CB-CD2 3.96Å |
| 555 | F | 96.2 | Very high | 96.2 | Very high | 20 Ų | 20 | 49 Ų | 49 | 9% | 0.088 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46 | 42.8 | -177 | -51 | -79.2 | 0 | 0 | 0 | 113 | K519 N557 L558 A563 I567 L573 | K519-F555 HydrophobicContact CB-CD2 4.42Å; K519-F555 HydrophobicContact CD-CB 4.24Å; K519-F555 PolarHBondContact NZ-O 3.44Å; F555-N557 PolarHBondContact O-N 2.83Å; F555-N557 VanDerWaalsContact O-N 3.17Å; F555-L558 HydrophobicContact CB-CB 4.41Å; F555-L558 HydrophobicContact CB-CD1 4.26Å; F555-L558 HydrophobicContact CB-CG 4.49Å; F555-L558 HydrophobicContact CD1-CD1 4.17Å; F555-L558 PolarHBondContact O-N 2.93Å; F555-L558 VanDerWaalsContact O-N 3.09Å; F555-A563 HydrophobicContact CB-CB 4.29Å; F555-A563 HydrophobicContact CG-CB 4.46Å; F555-I567 HydrophobicContact CD2-CD1 4.46Å; F555-I567 HydrophobicContact CE2-CD1 3.8Å; F555-I567 HydrophobicContact CE2-CG1 4.01Å; F555-I567 HydrophobicContact CZ-CD1 4.19Å; F555-I567 HydrophobicContact CZ-CG1 3.85Å; F555-L573 HydrophobicContact CD1-CD2 3.79Å; F555-L573 HydrophobicContact CD2-CD2 3.76Å; F555-L573 HydrophobicContact CD2-CG 4.41Å; F555-L573 HydrophobicContact CE1-CD2 3.72Å; F555-L573 HydrophobicContact CE1-CG 4.13Å; F555-L573 HydrophobicContact CE2-CD1 4.3Å; F555-L573 HydrophobicContact CE2-CD2 3.69Å; F555-L573 HydrophobicContact CE2-CG 3.84Å; F555-L573 HydrophobicContact CG-CD2 3.82Å; F555-L573 HydrophobicContact CZ-CD2 3.67Å; F555-L573 HydrophobicContact CZ-CG 3.69Å |
| 556 | S | 93.9 | Very high | 96.1 | Very high | 80 Ų | 80 | 50.6 Ų | 50.6 | 56% | 0.559 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -30.6 | -173.2 | 50.9 | 0 | 0 | 0 | 0 | 114.1 | K553 P554 | K553-S556 WeakPolarHBondContact O-CB 3.23Å; K553-S556 PolarHBondContact O-N 2.88Å; P554-S556 PolarHBondContact O-N 2.87Å; P554-S556 VanDerWaalsContact O-N 3.16Å |
| 557 | N | 94 | Very high | 96 | Very high | 134 Ų | 134 | 50.7 Ų | 50.7 | 72% | 0.717 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -11.3 | 179.2 | 61.2 | -35 | 0 | 0 | 0 | 115.3 | F555 | F555-N557 PolarHBondContact O-N 2.83Å; F555-N557 VanDerWaalsContact O-N 3.17Å |
| 558 | L | 95.6 | Very high | 95.8 | Very high | 39 Ų | 39 | 53.4 Ų | 53.4 | 20% | 0.204 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -107.4 | 156.6 | -176.8 | -58.4 | -177.1 | 0 | 0 | 0 | 112.1 | K519 F555 E562 A563 Q566 | K519-L558 WeakPolarHBondContact CE-O 3.44Å; K519-L558 PolarHBondContact NZ-O 3.01Å; F555-L558 HydrophobicContact CB-CB 4.41Å; F555-L558 HydrophobicContact CB-CD1 4.26Å; F555-L558 HydrophobicContact CB-CG 4.49Å; F555-L558 HydrophobicContact CD1-CD1 4.17Å; F555-L558 PolarHBondContact O-N 2.93Å; F555-L558 VanDerWaalsContact O-N 3.09Å; L558-E562 HydrophobicContact CB-CB 4.13Å; L558-E562 HydrophobicContact CD2-CB 4.36Å; L558-A563 HydrophobicContact CB-CB 4.49Å; L558-Q566 HydrophobicContact CD1-CB 4.41Å; L558-Q566 HydrophobicContact CD1-CG 3.95Å |
| 559 | T | 96.5 | Very high | 95.7 | Very high | 79 Ų | 79 | 60.7 Ų | 60.7 | 49% | 0.485 | 33% | 0.328 | S | S | . | . | trans | -70.8 | 172 | 161.2 | 66.4 | 0 | 0 | 0 | 0 | 111.2 | A561 E562 A563 | T559-A561 VanDerWaalsContact C-N 3.29Å; T559-A561 PolarHBondContact O-N 2.83Å; T559-A561 PolarHBondContact OG1-N 2.86Å; T559-E562 WeakPolarHBondContact CA-OE2 3.43Å; T559-E562 WeakPolarHBondContact CB-OE2 3.36Å; T559-E562 VanDerWaalsContact CG2-OE2 3.22Å; T559-E562 WeakPolarHBondContact CG2-OE2 3.36Å; T559-E562 PolarHBondContact N-OE2 2.83Å; T559-E562 WeakPolarHBondContact OG1-CG 3.46Å; T559-E562 PolarHBondContact OG1-N 3.33Å; T559-E562 PolarHBondContact OG1-OE2 3.46Å; T559-A563 VanDerWaalsContact O-CB 3.29Å; T559-A563 WeakPolarHBondContact O-CB 3.33Å; T559-A563 PolarHBondContact O-N 2.98Å | ||
| 560 | N | 94.8 | Very high | 95.6 | Very high | 86 Ų | 86 | 61.6 Ų | 61.6 | 46% | 0.46 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.1 | -29.6 | 173.9 | -77.7 | -6.4 | 0 | 0 | 0 | 112.9 | I518 K519 V564 | I518-N560 HydrophobicContact CB-CB 4.3Å; I518-N560 HydrophobicContact CG1-CB 4.37Å; I518-N560 HydrophobicContact CG2-CB 4.04Å; K519-N560 VanDerWaalsContact CE-OD1 3.25Å; K519-N560 WeakPolarHBondContact CE-OD1 3.46Å; N560-V564 WeakPolarHBondContact O-CG2 3.45Å; N560-V564 PolarHBondContact O-N 3.02Å |
| 561 | A | 95 | Very high | 95.7 | Very high | 72 Ų | 72 | 61.8 Ų | 61.8 | 60% | 0.595 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -73.2 | -49.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | T559 A563 V564 E565 | T559-A561 VanDerWaalsContact C-N 3.29Å; T559-A561 PolarHBondContact O-N 2.83Å; T559-A561 PolarHBondContact OG1-N 2.86Å; A561-A563 VanDerWaalsContact C-N 3.29Å; A561-A563 PolarHBondContact O-N 3.43Å; A561-V564 WeakPolarHBondContact O-CB 3.34Å; A561-V564 PolarHBondContact O-N 3.45Å; A561-V564 VanDerWaalsContact O-N 3.14Å; A561-E565 PolarHBondContact O-N 2.69Å |
| 562 | E | 97.3 | Very high | 95.7 | Very high | 84 Ų | 84 | 63.9 Ų | 63.9 | 39% | 0.393 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.4 | -37.9 | 176.2 | -65.8 | 157.2 | 130.9 | 0 | 0 | 111.5 | L558 T559 V564 E565 Q566 | L558-E562 HydrophobicContact CB-CB 4.13Å; L558-E562 HydrophobicContact CD2-CB 4.36Å; T559-E562 WeakPolarHBondContact CA-OE2 3.43Å; T559-E562 WeakPolarHBondContact CB-OE2 3.36Å; T559-E562 VanDerWaalsContact CG2-OE2 3.22Å; T559-E562 WeakPolarHBondContact CG2-OE2 3.36Å; T559-E562 PolarHBondContact N-OE2 2.83Å; T559-E562 WeakPolarHBondContact OG1-CG 3.46Å; T559-E562 PolarHBondContact OG1-N 3.33Å; T559-E562 PolarHBondContact OG1-OE2 3.46Å; E562-V564 VanDerWaalsContact C-N 3.35Å; E562-V564 PolarHBondContact O-N 2.97Å; E562-E565 PolarHBondContact O-N 2.84Å; E562-Q566 WeakPolarHBondContact O-CB 3.43Å; E562-Q566 VanDerWaalsContact O-CG 3.25Å; E562-Q566 WeakPolarHBondContact O-CG 3.5Å; E562-Q566 PolarHBondContact O-N 3.45Å |
| 563 | A | 96.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K519 F555 L558 T559 A561 I567 | K519-A563 HydrophobicContact CG-CB 4.14Å; F555-A563 HydrophobicContact CB-CB 4.29Å; F555-A563 HydrophobicContact CG-CB 4.46Å; L558-A563 HydrophobicContact CB-CB 4.49Å; T559-A563 VanDerWaalsContact O-CB 3.29Å; T559-A563 WeakPolarHBondContact O-CB 3.33Å; T559-A563 PolarHBondContact O-N 2.98Å; A561-A563 VanDerWaalsContact C-N 3.29Å; A561-A563 PolarHBondContact O-N 3.43Å; A563-I567 VanDerWaalsContact O-CB 3.32Å; A563-I567 WeakPolarHBondContact O-CB 3.26Å; A563-I567 WeakPolarHBondContact O-CD1 3.48Å; A563-I567 WeakPolarHBondContact O-CG1 3.32Å; A563-I567 PolarHBondContact O-N 3.41Å |
| 564 | V | 95.8 | Very high | 95.8 | Very high | 42 Ų | 42 | 63.5 Ų | 63.5 | 26% | 0.255 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 174.4 | 171.4 | 0 | 0 | 0 | 0 | 111 | I518 L526 N560 A561 E562 I567 A568 | I518-V564 HydrophobicContact CG2-CG2 3.61Å; L526-V564 HydrophobicContact CD1-CG2 4.3Å; L526-V564 HydrophobicContact CD2-CG2 3.96Å; N560-V564 WeakPolarHBondContact O-CG2 3.45Å; N560-V564 PolarHBondContact O-N 3.02Å; A561-V564 WeakPolarHBondContact O-CB 3.34Å; A561-V564 PolarHBondContact O-N 3.45Å; A561-V564 VanDerWaalsContact O-N 3.14Å; E562-V564 VanDerWaalsContact C-N 3.35Å; E562-V564 PolarHBondContact O-N 2.97Å; V564-I567 PolarHBondContact O-N 2.98Å; V564-A568 VanDerWaalsContact O-CB 3.3Å; V564-A568 WeakPolarHBondContact O-CB 3.32Å; V564-A568 PolarHBondContact O-N 3.4Å |
| 565 | E | 96 | Very high | 95.8 | Very high | 91 Ų | 91 | 69.2 Ų | 69.2 | 43% | 0.425 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 179.9 | -166.9 | -174.2 | 166.7 | 0 | 0 | 112.1 | A561 E562 A568 R569 | A561-E565 PolarHBondContact O-N 2.69Å; E562-E565 PolarHBondContact O-N 2.84Å; E565-A568 PolarHBondContact O-N 3.02Å; E565-R569 VanDerWaalsContact CD-NH1 3.27Å; E565-R569 WeakPolarHBondContact O-CG 3.13Å; E565-R569 PolarHBondContact O-N 2.96Å; E565-R569 IonicContact OE1-CZ 2.67Å; E565-R569 IonicContact OE1-NH1 3.71Å; E565-R569 PolarHBondContact OE1-NH1 3.35Å; E565-R569 IonicContact OE1-NH2 2.69Å; E565-R569 PolarHBondContact OE1-NH2 3.21Å |
| 566 | Q | 96.3 | Very high | 95.7 | Very high | 60 Ų | 60 | 68.8 Ų | 68.8 | 28% | 0.28 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.2 | -41.5 | 178.2 | -64.4 | -65.4 | 8.6 | 0 | 0 | 112.1 | L558 E562 A568 R569 G570 V571 | L558-Q566 HydrophobicContact CD1-CB 4.41Å; L558-Q566 HydrophobicContact CD1-CG 3.95Å; E562-Q566 WeakPolarHBondContact O-CB 3.43Å; E562-Q566 VanDerWaalsContact O-CG 3.25Å; E562-Q566 WeakPolarHBondContact O-CG 3.5Å; E562-Q566 PolarHBondContact O-N 3.45Å; Q566-A568 VanDerWaalsContact C-N 3.29Å; Q566-A568 PolarHBondContact O-N 3.06Å; Q566-R569 PolarHBondContact O-N 3.38Å; Q566-G570 PolarHBondContact O-N 2.86Å; Q566-V571 HydrophobicContact CB-CB 4.11Å; Q566-V571 HydrophobicContact CB-CG2 4.32Å; Q566-V571 VanDerWaalsContact O-CB 3.31Å; Q566-V571 WeakPolarHBondContact O-CB 3.46Å; Q566-V571 PolarHBondContact O-N 3.45Å |
| 567 | I | 96 | Very high | 95.4 | Very high | 4 Ų | 4 | 72.2 Ų | 72.2 | 2% | 0.021 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59 | -42.3 | 173.8 | -73.3 | 166.8 | 0 | 0 | 0 | 110.8 | P523 L526 W538 F555 A563 V564 G570 R572 | P523-I567 HydrophobicContact CG-CG2 3.91Å; L526-I567 HydrophobicContact CD1-CD1 4.3Å; L526-I567 HydrophobicContact CD1-CG2 4.31Å; W538-I567 HydrophobicContact CH2-CG2 3.92Å; W538-I567 HydrophobicContact CZ2-CG2 3.81Å; F555-I567 HydrophobicContact CD2-CD1 4.46Å; F555-I567 HydrophobicContact CE2-CD1 3.8Å; F555-I567 HydrophobicContact CE2-CG1 4.01Å; F555-I567 HydrophobicContact CZ-CD1 4.19Å; F555-I567 HydrophobicContact CZ-CG1 3.85Å; A563-I567 VanDerWaalsContact O-CB 3.32Å; A563-I567 WeakPolarHBondContact O-CB 3.26Å; A563-I567 WeakPolarHBondContact O-CD1 3.48Å; A563-I567 WeakPolarHBondContact O-CG1 3.32Å; A563-I567 PolarHBondContact O-N 3.41Å; V564-I567 PolarHBondContact O-N 2.98Å; I567-G570 PolarHBondContact O-N 3.41Å; I567-G570 VanDerWaalsContact O-N 3.14Å; I567-R572 PolarHBondContact O-NH1 3.44Å |
| 568 | A | 93.2 | Very high | 94.9 | Very high | 56 Ų | 56 | 74.5 Ų | 74.5 | 46% | 0.463 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.3 | -36.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | V564 E565 Q566 G570 | V564-A568 VanDerWaalsContact O-CB 3.3Å; V564-A568 WeakPolarHBondContact O-CB 3.32Å; V564-A568 PolarHBondContact O-N 3.4Å; E565-A568 PolarHBondContact O-N 3.02Å; Q566-A568 VanDerWaalsContact C-N 3.29Å; Q566-A568 PolarHBondContact O-N 3.06Å; A568-G570 PolarHBondContact O-N 3.02Å |
| 569 | R | 95 | Very high | 94.7 | Very high | 161 Ų | 161 | 72.8 Ų | 72.8 | 61% | 0.608 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -6.2 | 170.1 | -77.6 | -173.3 | 176.2 | 113.7 | 13.3 | 114.4 | E565 Q566 V571 | E565-R569 VanDerWaalsContact CD-NH1 3.27Å; E565-R569 WeakPolarHBondContact O-CG 3.13Å; E565-R569 PolarHBondContact O-N 2.96Å; E565-R569 IonicContact OE1-CZ 2.67Å; E565-R569 IonicContact OE1-NH1 3.71Å; E565-R569 PolarHBondContact OE1-NH1 3.35Å; E565-R569 IonicContact OE1-NH2 2.69Å; E565-R569 PolarHBondContact OE1-NH2 3.21Å; Q566-R569 PolarHBondContact O-N 3.38Å; R569-V571 HydrophobicContact CB-CG2 4.43Å |
| 570 | G | 95.3 | Very high | 94.4 | Very high | 43 Ų | 43 | 69.1 Ų | 69.1 | 44% | 0.443 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92 | 1.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q566 I567 A568 R572 | Q566-G570 PolarHBondContact O-N 2.86Å; I567-G570 PolarHBondContact O-N 3.41Å; I567-G570 VanDerWaalsContact O-N 3.14Å; A568-G570 PolarHBondContact O-N 3.02Å; G570-R572 PolarHBondContact O-NH1 3.46Å |
| 571 | V | 96.1 | Very high | 94.3 | Very high | 65 Ų | 65 | 70.9 Ų | 70.9 | 39% | 0.394 | 36% | 0.361 | S | S | . | . | trans | -65 | 144.8 | 176.2 | -176.4 | 0 | 0 | 0 | 0 | 110.1 | Q566 R569 | Q566-V571 HydrophobicContact CB-CB 4.11Å; Q566-V571 HydrophobicContact CB-CG2 4.32Å; Q566-V571 VanDerWaalsContact O-CB 3.31Å; Q566-V571 WeakPolarHBondContact O-CB 3.46Å; Q566-V571 PolarHBondContact O-N 3.45Å; R569-V571 HydrophobicContact CB-CG2 4.43Å | ||
| 572 | R | 97.3 | Very high | 94.2 | Very high | 45 Ų | 45 | 69.6 Ų | 69.6 | 17% | 0.17 | 35% | 0.348 | C | S | . | . | trans | -129.6 | 164.3 | -179 | -60.2 | -59.5 | 178.3 | -104.9 | 3.7 | 110.5 | W538 I567 G570 L588 W591 | W538-R572 VanDerWaalsContact CH2-CZ 3.47Å; I567-R572 PolarHBondContact O-NH1 3.44Å; G570-R572 PolarHBondContact O-NH1 3.46Å; R572-L588 HydrophobicContact CB-CD2 4.42Å; R572-L588 HydrophobicContact CG-CD2 4.46Å; R572-W591 HydrophobicContact CB-CE3 4.07Å; R572-W591 HydrophobicContact CB-CZ3 4.47Å; R572-W591 HydrophobicContact CG-CB 4.48Å; R572-W591 HydrophobicContact CG-CE3 4.45Å; R572-W591 PolarHBondContact NE-O 3.07Å; R572-W591 PolarHBondContact NH2-O 3.29Å | ||
| 573 | L | 97.1 | Very high | 94.1 | Very high | 10 Ų | 10 | 65.6 Ų | 65.6 | 5% | 0.052 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 131.9 | 176.6 | -65.4 | 164.3 | 0 | 0 | 0 | 109.7 | V542 W545 P554 F555 Y584 W591 | V542-L573 HydrophobicContact CG1-CD1 4.11Å; V542-L573 HydrophobicContact CG2-CD1 4.29Å; W545-L573 HydrophobicContact CB-CD1 4.28Å; W545-L573 HydrophobicContact CD2-CB 4.17Å; W545-L573 HydrophobicContact CD2-CD1 3.86Å; W545-L573 HydrophobicContact CD2-CG 4.41Å; W545-L573 HydrophobicContact CE3-CD1 4.13Å; W545-L573 HydrophobicContact CG-CB 4.1Å; W545-L573 HydrophobicContact CG-CD1 3.92Å; W545-L573 HydrophobicContact CH2-CD2 4.47Å; W545-L573 HydrophobicContact CZ2-CB 4.49Å; W545-L573 HydrophobicContact CZ2-CD2 4.29Å; P554-L573 HydrophobicContact CB-CD1 3.8Å; P554-L573 HydrophobicContact CB-CD2 3.96Å; F555-L573 HydrophobicContact CD1-CD2 3.79Å; F555-L573 HydrophobicContact CD2-CD2 3.76Å; F555-L573 HydrophobicContact CD2-CG 4.41Å; F555-L573 HydrophobicContact CE1-CD2 3.72Å; F555-L573 HydrophobicContact CE1-CG 4.13Å; F555-L573 HydrophobicContact CE2-CD1 4.3Å; F555-L573 HydrophobicContact CE2-CD2 3.69Å; F555-L573 HydrophobicContact CE2-CG 3.84Å; F555-L573 HydrophobicContact CG-CD2 3.82Å; F555-L573 HydrophobicContact CZ-CD2 3.67Å; F555-L573 HydrophobicContact CZ-CG 3.69Å; L573-Y584 WeakPolarHBondContact O-CE2 3.4Å; L573-Y584 PolarHBondContact O-OH 3.17Å; L573-Y584 VanDerWaalsContact O-OH 3.13Å; L573-W591 HydrophobicContact CB-CH2 3.81Å; L573-W591 HydrophobicContact CB-CZ2 4.41Å; L573-W591 HydrophobicContact CB-CZ3 4.19Å; L573-W591 HydrophobicContact CD1-CH2 4.19Å; L573-W591 HydrophobicContact CD1-CZ2 3.97Å |
| 574 | E | 96.4 | Very high | 94.1 | Very high | 162 Ų | 162 | 67.5 Ų | 67.5 | 76% | 0.757 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 154.8 | -179.1 | -62.7 | 176.8 | 177.3 | 0 | 0 | 112.4 | W545 P576 | W545-E574 PolarHBondContact NE1-O 3.16Å; E574-P576 VanDerWaalsContact O-CD 3.28Å; E574-P576 WeakPolarHBondContact O-CD 3.45Å |
| 575 | R | 97 | Very high | 94.2 | Very high | 120 Ų | 120 | 69.7 Ų | 69.7 | 45% | 0.453 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 119.4 | -179.6 | -175.5 | 178.1 | 64.6 | 85.2 | 12 | 110.7 | C579 Y584 | R575-C579 HydrophobicContact CG-CB 3.8Å; R575-C579 PolarHBondContact NH1-O 2.73Å; R575-Y584 VanDerWaalsContact CA-CE2 3.43Å; R575-Y584 HydrophobicContact CB-CD1 3.96Å; R575-Y584 HydrophobicContact CB-CD2 3.62Å; R575-Y584 HydrophobicContact CB-CE1 3.98Å; R575-Y584 HydrophobicContact CB-CE2 3.65Å; R575-Y584 HydrophobicContact CB-CG 3.77Å; R575-Y584 HydrophobicContact CG-CD1 4.17Å; R575-Y584 HydrophobicContact CG-CD2 3.77Å; R575-Y584 HydrophobicContact CG-CE2 4.33Å; R575-Y584 HydrophobicContact CG-CG 3.67Å |
| 576 | P | 94.2 | Very high | 94.2 | Very high | 11 Ų | 11 | 65.6 Ų | 65.6 | 7% | 0.071 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 155.7 | 178.5 | -24.3 | 34.7 | 0 | 0 | 0 | 113.5 | W545 L548 E574 K578 C579 | W545-P576 HydrophobicContact CG-CG 4.16Å; L548-P576 HydrophobicContact CB-CB 4.1Å; L548-P576 HydrophobicContact CB-CG 4.03Å; E574-P576 VanDerWaalsContact O-CD 3.28Å; E574-P576 WeakPolarHBondContact O-CD 3.45Å; P576-K578 PolarHBondContact O-N 3.18Å; P576-C579 HydrophobicContact CB-CB 4.17Å; P576-C579 HydrophobicContact CG-CB 4.47Å; P576-C579 WeakPolarHBondContact O-CB 3.1Å; P576-C579 PolarHBondContact O-N 2.99Å |
| 577 | D | 87.3 | Confident | 94.3 | Very high | 153 Ų | 153 | 62.8 Ų | 62.8 | 82% | 0.818 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 137.9 | 172.2 | -75.1 | -44.6 | 0 | 0 | 0 | 111.9 | C579 | D577-C579 PolarHBondContact O-N 3.12Š|
| 578 | K | 83.8 | Confident | 94.4 | Very high | 182 Ų | 182 | 66.1 Ų | 66.1 | 79% | 0.791 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 7.8 | -176.5 | -50.1 | -177.3 | -177.7 | -175.7 | 0 | 114.9 | P576 | P576-K578 PolarHBondContact O-N 3.18Š|
| 579 | C | 91.4 | Very high | 94.7 | Very high | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.02 | 32% | 0.324 | C | S | . | . | trans | -66.6 | 128.4 | 171.1 | 177.7 | 0 | 0 | 0 | 0 | 111 | L548 R575 P576 D577 | L548-C579 HydrophobicContact CD1-CB 4.25Å; R575-C579 HydrophobicContact CG-CB 3.8Å; R575-C579 PolarHBondContact NH1-O 2.73Å; P576-C579 HydrophobicContact CB-CB 4.17Å; P576-C579 HydrophobicContact CG-CB 4.47Å; P576-C579 WeakPolarHBondContact O-CB 3.1Å; P576-C579 PolarHBondContact O-N 2.99Å; D577-C579 PolarHBondContact O-N 3.12Å | ||
| 580 | P | 90.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | trans | -57.5 | 138.6 | 173.7 | -20.2 | 29.6 | 0 | 0 | 0 | 112 | L455 S582 L583 Y584 Y615 | L455-P580 HydrophobicContact CD2-CG 4.41Å; P580-S582 PolarHBondContact O-N 2.97Å; P580-L583 HydrophobicContact CB-CB 3.88Å; P580-L583 HydrophobicContact CG-CB 4.07Å; P580-L583 HydrophobicContact CG-CD2 4.48Å; P580-L583 PolarHBondContact O-N 3.49Å; P580-L583 VanDerWaalsContact O-N 3.15Å; P580-Y584 PolarHBondContact O-N 3.08Å; P580-Y615 HydrophobicContact CB-CD2 4.48Å; P580-Y615 HydrophobicContact CB-CE2 3.58Å; P580-Y615 HydrophobicContact CG-CD2 4.15Å; P580-Y615 HydrophobicContact CG-CE1 4.11Å; P580-Y615 HydrophobicContact CG-CE2 3.56Å | ||
| 581 | H | 92.8 | Very high | 95 | Very high | 123 Ų | 123 | 57.6 Ų | 57.6 | 57% | 0.569 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -61.1 | -45.8 | 178.1 | -160.5 | 96.5 | 0 | 0 | 0 | 111.5 | L583 Y584 E585 | H581-L583 VanDerWaalsContact C-N 3.25Å; H581-L583 PolarHBondContact O-N 3.38Å; H581-Y584 WeakPolarHBondContact O-CA 3.26Å; H581-Y584 WeakPolarHBondContact O-CB 3.25Å; H581-Y584 PolarHBondContact O-N 3.36Å; H581-E585 IonicContact CD2-OE1 3.38Å; H581-E585 PolarHBondContact CD2-OE1 3.08Å; H581-E585 IonicContact NE2-OE1 3.22Å; H581-E585 PolarHBondContact O-N 3.06Å |
| 582 | S | 92.9 | Very high | 95.1 | Very high | 45 Ų | 45 | 57 Ų | 57 | 32% | 0.315 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.9 | -22.3 | 175.8 | 50 | 0 | 0 | 0 | 0 | 114.5 | P580 I586 L611 | P580-S582 PolarHBondContact O-N 2.97Å; S582-I586 WeakPolarHBondContact O-CG1 3.13Å; S582-L611 WeakPolarHBondContact OG-CD2 3.49Å |
| 583 | L | 95.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -80.2 | -40.1 | 168.7 | -177.3 | 55.6 | 0 | 0 | 0 | 111.2 | L455 I544 L548 P580 H581 E585 I586 L587 L611 | L455-L583 HydrophobicContact CD2-CD2 3.33Å; I544-L583 HydrophobicContact CG2-CD2 4.27Å; L548-L583 HydrophobicContact CD1-CD2 3.75Å; L548-L583 HydrophobicContact CD1-CG 4.48Å; L548-L583 HydrophobicContact CD2-CD2 4.44Å; P580-L583 HydrophobicContact CB-CB 3.88Å; P580-L583 HydrophobicContact CG-CB 4.07Å; P580-L583 HydrophobicContact CG-CD2 4.48Å; P580-L583 PolarHBondContact O-N 3.49Å; P580-L583 VanDerWaalsContact O-N 3.15Å; H581-L583 VanDerWaalsContact C-N 3.25Å; H581-L583 PolarHBondContact O-N 3.38Å; L583-E585 VanDerWaalsContact C-N 3.29Å; L583-E585 PolarHBondContact O-N 3.1Å; L583-I586 HydrophobicContact CD1-CB 4.39Å; L583-I586 HydrophobicContact CD1-CD1 4.46Å; L583-I586 WeakPolarHBondContact O-CA 3.49Å; L583-I586 WeakPolarHBondContact O-CB 3.34Å; L583-I586 PolarHBondContact O-N 3.48Å; L583-L587 WeakPolarHBondContact O-CG 3.38Å; L583-L587 PolarHBondContact O-N 3.46Å; L583-L611 HydrophobicContact CB-CD1 3.99Å; L583-L611 HydrophobicContact CD1-CD1 3.96Å |
| 584 | Y | 97.3 | Very high | 95 | Very high | 40 Ų | 40 | 60.6 Ų | 60.6 | 16% | 0.157 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.6 | -36.3 | 176.9 | -173 | -112.3 | 0 | 0 | 0 | 112.2 | L573 R575 P580 H581 I586 L587 L588 W591 | L573-Y584 WeakPolarHBondContact O-CE2 3.4Å; L573-Y584 PolarHBondContact O-OH 3.17Å; L573-Y584 VanDerWaalsContact O-OH 3.13Å; R575-Y584 VanDerWaalsContact CA-CE2 3.43Å; R575-Y584 HydrophobicContact CB-CD1 3.96Å; R575-Y584 HydrophobicContact CB-CD2 3.62Å; R575-Y584 HydrophobicContact CB-CE1 3.98Å; R575-Y584 HydrophobicContact CB-CE2 3.65Å; R575-Y584 HydrophobicContact CB-CG 3.77Å; R575-Y584 HydrophobicContact CG-CD1 4.17Å; R575-Y584 HydrophobicContact CG-CD2 3.77Å; R575-Y584 HydrophobicContact CG-CE2 4.33Å; R575-Y584 HydrophobicContact CG-CG 3.67Å; P580-Y584 PolarHBondContact O-N 3.08Å; H581-Y584 WeakPolarHBondContact O-CA 3.26Å; H581-Y584 WeakPolarHBondContact O-CB 3.25Å; H581-Y584 PolarHBondContact O-N 3.36Å; Y584-I586 VanDerWaalsContact C-N 3.3Å; Y584-I586 PolarHBondContact O-N 2.85Å; Y584-L587 HydrophobicContact CD2-CD1 4.45Å; Y584-L587 WeakPolarHBondContact O-CB 3.27Å; Y584-L587 PolarHBondContact O-N 3.5Å; Y584-L587 VanDerWaalsContact O-N 3.08Å; Y584-L588 HydrophobicContact CD1-CD1 3.97Å; Y584-L588 HydrophobicContact CD1-CG 4.31Å; Y584-L588 HydrophobicContact CE1-CD1 3.75Å; Y584-L588 HydrophobicContact CE1-CD2 4.24Å; Y584-L588 HydrophobicContact CE1-CG 4.05Å; Y584-L588 WeakPolarHBondContact O-CG 3.42Å; Y584-L588 PolarHBondContact O-N 2.75Å; Y584-W591 HydrophobicContact CE2-CZ3 4.27Å |
| 585 | E | 97.1 | Very high | 95.1 | Very high | 89 Ų | 89 | 54.8 Ų | 54.8 | 42% | 0.416 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56 | -41.4 | 167.9 | -71.8 | 172.3 | -168.7 | 0 | 0 | 112.7 | H581 L583 L588 Q589 | H581-E585 IonicContact CD2-OE1 3.38Å; H581-E585 PolarHBondContact CD2-OE1 3.08Å; H581-E585 IonicContact NE2-OE1 3.22Å; H581-E585 PolarHBondContact O-N 3.06Å; L583-E585 VanDerWaalsContact C-N 3.29Å; L583-E585 PolarHBondContact O-N 3.1Å; E585-L588 PolarHBondContact O-N 3.16Å; E585-Q589 VanDerWaalsContact O-CG 3.28Å; E585-Q589 WeakPolarHBondContact O-CG 3.31Å; E585-Q589 PolarHBondContact O-N 3.29Å |
| 586 | I | 97.4 | Very high | 95.1 | Very high | 5 Ų | 5 | 54.6 Ų | 54.6 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 174.2 | -66.5 | 173.4 | 0 | 0 | 0 | 110.8 | S582 L583 Y584 Q589 C590 L604 R607 L611 | S582-I586 WeakPolarHBondContact O-CG1 3.13Å; L583-I586 HydrophobicContact CD1-CB 4.39Å; L583-I586 HydrophobicContact CD1-CD1 4.46Å; L583-I586 WeakPolarHBondContact O-CA 3.49Å; L583-I586 WeakPolarHBondContact O-CB 3.34Å; L583-I586 PolarHBondContact O-N 3.48Å; Y584-I586 VanDerWaalsContact C-N 3.3Å; Y584-I586 PolarHBondContact O-N 2.85Å; I586-Q589 WeakPolarHBondContact O-CB 3.4Å; I586-Q589 PolarHBondContact O-N 2.82Å; I586-C590 PolarHBondContact O-N 2.86Å; I586-C590 PolarHBondContact O-SG 3.21Å; I586-L604 HydrophobicContact CG2-CD2 3.38Å; I586-R607 HydrophobicContact CD1-CB 4Å; I586-L611 HydrophobicContact CD1-CD1 3.6Å |
| 587 | L | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 176.3 | -56.3 | -171.7 | 0 | 0 | 0 | 111.7 | I544 L583 Y584 Q589 C590 W591 | I544-L587 HydrophobicContact CB-CD2 3.73Å; I544-L587 HydrophobicContact CD1-CD2 3.72Å; I544-L587 HydrophobicContact CG1-CD2 4.33Å; I544-L587 HydrophobicContact CG2-CD1 4.26Å; I544-L587 HydrophobicContact CG2-CD2 3.8Å; L583-L587 WeakPolarHBondContact O-CG 3.38Å; L583-L587 PolarHBondContact O-N 3.46Å; Y584-L587 HydrophobicContact CD2-CD1 4.45Å; Y584-L587 WeakPolarHBondContact O-CB 3.27Å; Y584-L587 PolarHBondContact O-N 3.5Å; Y584-L587 VanDerWaalsContact O-N 3.08Å; L587-Q589 VanDerWaalsContact C-N 3.28Å; L587-Q589 PolarHBondContact O-N 3.03Å; L587-C590 CarbonylContact O-C 3.58Å; L587-C590 WeakPolarHBondContact O-CB 3.39Å; L587-C590 PolarHBondContact O-N 2.9Å; L587-C590 VanDerWaalsContact O-N 3.12Å; L587-W591 HydrophobicContact CB-CE3 4.16Å; L587-W591 HydrophobicContact CB-CH2 3.91Å; L587-W591 HydrophobicContact CB-CZ2 4.26Å; L587-W591 HydrophobicContact CB-CZ3 3.86Å; L587-W591 HydrophobicContact CD1-CH2 4.07Å; L587-W591 VanDerWaalsContact O-CD2 3.31Å; L587-W591 PolarHBondContact O-N 2.66Å |
| 588 | L | 98.3 | Very high | 95.8 | Very high | 75 Ų | 75 | 52.7 Ų | 52.7 | 39% | 0.393 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.6 | -37.1 | 173.7 | -67.9 | 173.8 | 0 | 0 | 0 | 112.1 | R572 Y584 E585 W591 N592 | R572-L588 HydrophobicContact CB-CD2 4.42Å; R572-L588 HydrophobicContact CG-CD2 4.46Å; Y584-L588 HydrophobicContact CD1-CD1 3.97Å; Y584-L588 HydrophobicContact CD1-CG 4.31Å; Y584-L588 HydrophobicContact CE1-CD1 3.75Å; Y584-L588 HydrophobicContact CE1-CD2 4.24Å; Y584-L588 HydrophobicContact CE1-CG 4.05Å; Y584-L588 WeakPolarHBondContact O-CG 3.42Å; Y584-L588 PolarHBondContact O-N 2.75Å; E585-L588 PolarHBondContact O-N 3.16Å; L588-W591 HydrophobicContact CD2-CE3 4.44Å; L588-W591 CarbonylContact O-C 3.49Å; L588-W591 PolarHBondContact O-N 3.47Å; L588-N592 PolarHBondContact O-N 3.3Å |
| 589 | Q | 98.3 | Very high | 96.5 | Very high | 74 Ų | 74 | 44.7 Ų | 44.7 | 35% | 0.346 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68.2 | -38.3 | 172.8 | -69.5 | 167.1 | 21.9 | 0 | 0 | 112.3 | E585 I586 L587 W591 N592 P599 R607 | E585-Q589 VanDerWaalsContact O-CG 3.28Å; E585-Q589 WeakPolarHBondContact O-CG 3.31Å; E585-Q589 PolarHBondContact O-N 3.29Å; I586-Q589 WeakPolarHBondContact O-CB 3.4Å; I586-Q589 PolarHBondContact O-N 2.82Å; L587-Q589 VanDerWaalsContact C-N 3.28Å; L587-Q589 PolarHBondContact O-N 3.03Å; Q589-W591 VanDerWaalsContact C-N 3.27Å; Q589-W591 PolarHBondContact O-N 2.89Å; Q589-N592 PolarHBondContact O-N 3.45Å; Q589-P599 HydrophobicContact CB-CG 4.46Å; Q589-R607 VanDerWaalsContact OE1-CZ 3.29Å |
| 590 | C | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.3 | -30.8 | 172.2 | -62.4 | 0 | 0 | 0 | 0 | 112.2 | V537 I586 L587 R598 | V537-C590 HydrophobicContact CG1-CB 3.96Å; I586-C590 PolarHBondContact O-N 2.86Å; I586-C590 PolarHBondContact O-SG 3.21Å; L587-C590 CarbonylContact O-C 3.58Å; L587-C590 WeakPolarHBondContact O-CB 3.39Å; L587-C590 PolarHBondContact O-N 2.9Å; L587-C590 VanDerWaalsContact O-N 3.12Å; C590-R598 VanDerWaalsContact O-CD 3.26Å; C590-R598 WeakPolarHBondContact O-CD 3.35Å |
| 591 | W | 98.5 | Very high | 97.2 | Very high | 6 Ų | 6 | 47.5 Ų | 47.5 | 2% | 0.023 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 24.5 | 177.1 | -53.5 | -40.8 | 0 | 0 | 0 | 114.6 | W538 G541 V542 W545 R572 L573 Y584 L587 L588 Q589 A593 | W538-W591 HydrophobicContact CD2-CB 4.49Å; W538-W591 AromaticContact CD2-CD1 3.76Å; W538-W591 HydrophobicContact CD2-CG 4.48Å; W538-W591 AromaticContact CE2-CD1 3.98Å; W538-W591 VanDerWaalsContact CE3-CA 3.49Å; W538-W591 HydrophobicContact CE3-CB 4Å; W538-W591 HydrophobicContact CE3-CG 4.46Å; W538-W591 HydrophobicContact CH2-CB 4.23Å; W538-W591 HydrophobicContact CZ3-CB 3.86Å; W538-W591 VanDerWaalsContact CZ3-O 3.27Å; W538-W591 WeakPolarHBondContact CZ3-O 3.38Å; W538-W591 PolarHBondContact O-NE1 2.9Å; G541-W591 WeakPolarHBondContact O-CZ2 3.02Å; V542-W591 HydrophobicContact CG2-CZ2 4.43Å; W545-W591 HydrophobicContact CB-CH2 4.1Å; W545-W591 HydrophobicContact CB-CZ2 4.05Å; W545-W591 AromaticContact CD1-CH2 3.95Å; W545-W591 HydrophobicContact CG-CH2 4.25Å; R572-W591 HydrophobicContact CB-CE3 4.07Å; R572-W591 HydrophobicContact CB-CZ3 4.47Å; R572-W591 HydrophobicContact CG-CB 4.48Å; R572-W591 HydrophobicContact CG-CE3 4.45Å; R572-W591 PolarHBondContact NE-O 3.07Å; R572-W591 PolarHBondContact NH2-O 3.29Å; L573-W591 HydrophobicContact CB-CH2 3.81Å; L573-W591 HydrophobicContact CB-CZ2 4.41Å; L573-W591 HydrophobicContact CB-CZ3 4.19Å; L573-W591 HydrophobicContact CD1-CH2 4.19Å; L573-W591 HydrophobicContact CD1-CZ2 3.97Å; Y584-W591 HydrophobicContact CE2-CZ3 4.27Å; L587-W591 HydrophobicContact CB-CE3 4.16Å; L587-W591 HydrophobicContact CB-CH2 3.91Å; L587-W591 HydrophobicContact CB-CZ2 4.26Å; L587-W591 HydrophobicContact CB-CZ3 3.86Å; L587-W591 HydrophobicContact CD1-CH2 4.07Å; L587-W591 VanDerWaalsContact O-CD2 3.31Å; L587-W591 PolarHBondContact O-N 2.66Å; L588-W591 HydrophobicContact CD2-CE3 4.44Å; L588-W591 CarbonylContact O-C 3.49Å; L588-W591 PolarHBondContact O-N 3.47Å; Q589-W591 VanDerWaalsContact C-N 3.27Å; Q589-W591 PolarHBondContact O-N 2.89Å; W591-A593 PolarHBondContact O-N 3.41Å |
| 592 | N | 98.3 | Very high | 97.3 | Very high | 54 Ų | 54 | 44.9 Ų | 44.9 | 29% | 0.289 | 26% | 0.256 | S | S | . | . | trans | -59 | 134.6 | 170 | -163.7 | -47.8 | 0 | 0 | 0 | 109.8 | L588 Q589 N594 L597 R598 | L588-N592 PolarHBondContact O-N 3.3Å; Q589-N592 PolarHBondContact O-N 3.45Å; N592-N594 VanDerWaalsContact C-N 3.28Å; N592-N594 PolarHBondContact O-N 2.92Å; N592-N594 PolarHBondContact OD1-N 3.16Å; N592-L597 HydrophobicContact CB-CB 4.36Å; N592-L597 VanDerWaalsContact ND2-CB 3.34Å; N592-L597 WeakPolarHBondContact ND2-CB 3.48Å; N592-R598 HydrophobicContact CB-CG 4.01Å; N592-R598 PolarHBondContact O-NE 3Å; N592-R598 PolarHBondContact O-NH2 3.45Å | ||
| 593 | A | 96.3 | Very high | 97.6 | Very high | 62 Ų | 62 | 48.3 Ų | 48.3 | 51% | 0.512 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -61.3 | -38.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | W591 P595 R598 | W591-A593 PolarHBondContact O-N 3.41Å; A593-P595 WeakPolarHBondContact O-CD 3.3Å; A593-R598 PolarHBondContact O-NH2 2.82Å |
| 594 | N | 96.4 | Very high | 97.7 | Very high | 67 Ų | 67 | 48.3 Ų | 48.3 | 36% | 0.358 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -82 | 119 | 173.5 | -179.2 | 0.1 | 0 | 0 | 0 | 110.2 | N592 T596 L597 | N592-N594 VanDerWaalsContact C-N 3.28Å; N592-N594 PolarHBondContact O-N 2.92Å; N592-N594 PolarHBondContact OD1-N 3.16Å; N594-T596 PolarHBondContact ND2-OG1 2.85Å; N594-T596 VanDerWaalsContact ND2-OG1 3.12Å; N594-T596 PolarHBondContact O-N 3.06Å; N594-T596 PolarHBondContact OD1-N 3.48Å; N594-T596 PolarHBondContact OD1-OG1 3.47Å; N594-T596 VanDerWaalsContact OD1-OG1 3.11Å; N594-L597 HydrophobicContact CB-CB 4.46Å; N594-L597 HydrophobicContact CB-CD1 4.08Å; N594-L597 HydrophobicContact CB-CG 4.14Å; N594-L597 PolarHBondContact O-N 3.19Å |
| 595 | P | 97.1 | Very high | 97.7 | Very high | 40 Ų | 40 | 50.3 Ų | 50.3 | 26% | 0.26 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -61.5 | -26.2 | 178.8 | 24.6 | -34.3 | 0 | 0 | 0 | 114.1 | A534 A593 L597 R598 | A534-P595 HydrophobicContact CB-CB 3.81Å; A534-P595 WeakPolarHBondContact CB-O 3.18Å; A593-P595 WeakPolarHBondContact O-CD 3.3Å; P595-L597 VanDerWaalsContact C-N 3.26Å; P595-L597 PolarHBondContact O-N 2.91Å; P595-R598 PolarHBondContact O-N 2.94Å |
| 596 | T | 96.6 | Very high | 97.7 | Very high | 116 Ų | 116 | 48.6 Ų | 48.6 | 71% | 0.712 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -77 | -10.7 | 179.4 | 69.5 | 0 | 0 | 0 | 0 | 113.9 | N594 | N594-T596 PolarHBondContact ND2-OG1 2.85Å; N594-T596 VanDerWaalsContact ND2-OG1 3.12Å; N594-T596 PolarHBondContact O-N 3.06Å; N594-T596 PolarHBondContact OD1-N 3.48Å; N594-T596 PolarHBondContact OD1-OG1 3.47Å; N594-T596 VanDerWaalsContact OD1-OG1 3.11Å |
| 597 | L | 98 | Very high | 97.6 | Very high | 108 Ų | 108 | 52 Ų | 52 | 57% | 0.565 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -99.8 | 3.2 | 176 | -60.9 | -179.1 | 0 | 0 | 0 | 112.9 | N592 N594 P595 | N592-L597 HydrophobicContact CB-CB 4.36Å; N592-L597 VanDerWaalsContact ND2-CB 3.34Å; N592-L597 WeakPolarHBondContact ND2-CB 3.48Å; N594-L597 HydrophobicContact CB-CB 4.46Å; N594-L597 HydrophobicContact CB-CD1 4.08Å; N594-L597 HydrophobicContact CB-CG 4.14Å; N594-L597 PolarHBondContact O-N 3.19Å; P595-L597 VanDerWaalsContact C-N 3.26Å; P595-L597 PolarHBondContact O-N 2.91Å |
| 598 | R | 98.4 | Very high | 97.5 | Very high | 17 Ų | 17 | 52 Ų | 52 | 6% | 0.064 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -82.9 | 138.3 | 173.6 | -60 | 177.2 | -166.1 | 148.2 | 13.9 | 109.5 | E524 A534 V537 C590 N592 A593 P595 | E524-R598 IonicContact OE1-CZ 2.7Å; E524-R598 IonicContact OE1-NH1 2.68Å; E524-R598 PolarHBondContact OE1-NH1 3.43Å; E524-R598 IonicContact OE1-NH2 2.7Å; E524-R598 IonicContact OE2-CZ 2.8Å; E524-R598 IonicContact OE2-NH1 2.71Å; E524-R598 PolarHBondContact OE2-NH1 3.43Å; E524-R598 IonicContact OE2-NH2 3.37Å; E524-R598 PolarHBondContact OE2-NH2 3Å; A534-R598 VanDerWaalsContact O-CD 3.31Å; A534-R598 WeakPolarHBondContact O-CD 3.23Å; A534-R598 PolarHBondContact O-NH1 2.6Å; V537-R598 HydrophobicContact CG1-CB 3.99Å; C590-R598 VanDerWaalsContact O-CD 3.26Å; C590-R598 WeakPolarHBondContact O-CD 3.35Å; N592-R598 HydrophobicContact CB-CG 4.01Å; N592-R598 PolarHBondContact O-NE 3Å; N592-R598 PolarHBondContact O-NH2 3.45Å; A593-R598 PolarHBondContact O-NH2 2.82Å; P595-R598 PolarHBondContact O-N 2.94Å |
| 599 | P | 98.3 | Very high | 97.3 | Very high | 13 Ų | 13 | 55.9 Ų | 55.9 | 8% | 0.084 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 145.8 | 177.8 | 29.6 | -35.7 | 0 | 0 | 0 | 111.4 | V537 Q589 M603 L604 | V537-P599 WeakPolarHBondContact CG1-O 3.44Å; V537-P599 WeakPolarHBondContact CG2-O 3.42Å; Q589-P599 HydrophobicContact CB-CG 4.46Å; P599-M603 HydrophobicContact CB-CB 4.27Å; P599-L604 HydrophobicContact CB-CD2 4.2Å; P599-L604 HydrophobicContact CB-CG 4.14Å; P599-L604 HydrophobicContact CG-CD1 4.26Å; P599-L604 HydrophobicContact CG-CD2 3.64Å; P599-L604 HydrophobicContact CG-CG 3.92Å |
| 600 | T | 98.3 | Very high | 97.1 | Very high | 59 Ų | 59 | 57.4 Ų | 57.4 | 36% | 0.362 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 160.3 | 174.2 | 59.7 | 0 | 0 | 0 | 0 | 111.8 | E469 S602 M603 L604 | E469-T600 WeakPolarHBondContact OE1-CB 3.12Å; T600-S602 PolarHBondContact O-N 3.3Å; T600-M603 WeakPolarHBondContact O-CA 3.49Å; T600-M603 WeakPolarHBondContact O-CB 3.42Å; T600-M603 PolarHBondContact O-N 2.59Å; T600-M603 WeakPolarHBondContact OG1-CG 3.32Å; T600-M603 PolarHBondContact OG1-N 2.93Å; T600-L604 WeakPolarHBondContact O-CG 3.33Å; T600-L604 PolarHBondContact O-N 3.42Å |
| 601 | F | 98.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61 | -35.3 | 173.9 | -68.4 | -64.4 | 0 | 0 | 0 | 111.8 | V462 L465 A466 E469 I478 D536 V537 F540 M603 L604 K605 | V462-F601 HydrophobicContact CG2-CD1 4.01Å; L465-F601 HydrophobicContact CB-CB 4.48Å; L465-F601 HydrophobicContact CB-CD1 3.58Å; L465-F601 HydrophobicContact CB-CD2 4.02Å; L465-F601 HydrophobicContact CB-CE1 3.62Å; L465-F601 HydrophobicContact CB-CE2 4.04Å; L465-F601 HydrophobicContact CB-CG 3.77Å; L465-F601 HydrophobicContact CB-CZ 3.83Å; L465-F601 HydrophobicContact CD1-CD1 4.18Å; L465-F601 HydrophobicContact CD1-CE1 3.5Å; L465-F601 VanDerWaalsContact CD1-CE1 3.5Å; L465-F601 HydrophobicContact CD1-CZ 3.83Å; L465-F601 HydrophobicContact CD2-CZ 4.45Å; L465-F601 HydrophobicContact CG-CE1 4.14Å; L465-F601 HydrophobicContact CG-CZ 4.25Å; A466-F601 HydrophobicContact CB-CB 4.01Å; E469-F601 HydrophobicContact CB-CB 4.48Å; E469-F601 HydrophobicContact CB-CD2 4.16Å; E469-F601 PolarHBondContact OE1-N 3.42Å; E469-F601 PolarHBondContact OE2-N 3Å; I478-F601 HydrophobicContact CD1-CZ 4.43Å; D536-F601 HydrophobicContact CB-CE2 3.94Å; D536-F601 HydrophobicContact CB-CZ 3.93Å; V537-F601 HydrophobicContact CB-CZ 4.32Å; V537-F601 HydrophobicContact CG2-CD1 4.1Å; V537-F601 HydrophobicContact CG2-CD2 4Å; V537-F601 HydrophobicContact CG2-CE1 3.82Å; V537-F601 HydrophobicContact CG2-CE2 3.75Å; V537-F601 HydrophobicContact CG2-CG 4.2Å; V537-F601 HydrophobicContact CG2-CZ 3.67Å; F540-F601 HydrophobicContact CB-CE1 3.68Å; F540-F601 HydrophobicContact CB-CZ 4.17Å; F540-F601 HydrophobicContact CD1-CD1 4.26Å; F540-F601 AromaticContact CD1-CE1 3.78Å; F540-F601 HydrophobicContact CD1-CE1 3.78Å; F540-F601 AromaticContact CG-CE1 3.78Å; F540-F601 HydrophobicContact CG-CE1 3.78Å; F601-M603 VanDerWaalsContact C-N 3.3Å; F601-M603 PolarHBondContact O-N 2.81Å; F601-L604 HydrophobicContact CD1-CD1 4.2Å; F601-L604 PolarHBondContact O-N 3.35Å; F601-K605 PolarHBondContact O-N 3.16Å |
| 602 | S | 96.4 | Very high | 96.2 | Very high | 68 Ų | 68 | 58.3 Ų | 58.3 | 48% | 0.476 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.2 | -35.6 | 171.2 | -62 | 0 | 0 | 0 | 0 | 113.4 | E469 T600 P606 | E469-S602 VanDerWaalsContact OE2-CB 3.31Å; E469-S602 WeakPolarHBondContact OE2-CB 3.49Å; E469-S602 PolarHBondContact OE2-N 2.93Å; E469-S602 PolarHBondContact OE2-OG 3.24Å; T600-S602 PolarHBondContact O-N 3.3Å; S602-P606 VanDerWaalsContact O-CD 3.22Å; S602-P606 WeakPolarHBondContact O-CD 3.5Å |
| 603 | M | 97.5 | Very high | 95.8 | Very high | 118 Ų | 118 | 59.9 Ų | 59.9 | 58% | 0.581 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -78.8 | -33.4 | 173 | -75.2 | 174.9 | 165.8 | 0 | 0 | 113.6 | P599 T600 F601 P606 | P599-M603 HydrophobicContact CB-CB 4.27Å; T600-M603 WeakPolarHBondContact O-CA 3.49Å; T600-M603 WeakPolarHBondContact O-CB 3.42Å; T600-M603 PolarHBondContact O-N 2.59Å; T600-M603 WeakPolarHBondContact OG1-CG 3.32Å; T600-M603 PolarHBondContact OG1-N 2.93Å; F601-M603 VanDerWaalsContact C-N 3.3Å; F601-M603 PolarHBondContact O-N 2.81Å; M603-P606 WeakPolarHBondContact O-CD 3.48Å; M603-P606 WeakPolarHBondContact O-CG 3.46Å |
| 604 | L | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71 | -36.3 | 179.8 | -72.7 | 168.8 | 0 | 0 | 0 | 112.5 | V462 V537 F540 I586 P599 T600 F601 R607 I608 | V462-L604 HydrophobicContact CG2-CB 3.73Å; V537-L604 HydrophobicContact CG1-CD1 4.17Å; V537-L604 HydrophobicContact CG2-CD1 4.41Å; F540-L604 HydrophobicContact CD1-CD1 4.08Å; F540-L604 HydrophobicContact CE1-CD1 4.19Å; I586-L604 HydrophobicContact CG2-CD2 3.38Å; P599-L604 HydrophobicContact CB-CD2 4.2Å; P599-L604 HydrophobicContact CB-CG 4.14Å; P599-L604 HydrophobicContact CG-CD1 4.26Å; P599-L604 HydrophobicContact CG-CD2 3.64Å; P599-L604 HydrophobicContact CG-CG 3.92Å; T600-L604 WeakPolarHBondContact O-CG 3.33Å; T600-L604 PolarHBondContact O-N 3.42Å; F601-L604 HydrophobicContact CD1-CD1 4.2Å; F601-L604 PolarHBondContact O-N 3.35Å; L604-R607 PolarHBondContact O-N 3.34Å; L604-I608 HydrophobicContact CB-CD1 4.35Å; L604-I608 WeakPolarHBondContact O-CG1 3.36Å; L604-I608 PolarHBondContact O-N 2.78Å |
| 605 | K | 97.3 | Very high | 94.6 | Very high | 81 Ų | 81 | 62.1 Ų | 62.1 | 35% | 0.352 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -53.6 | -51.6 | -178 | -172.4 | 174.8 | 66.1 | -176.8 | 0 | 115.1 | Y459 V462 T463 F601 R609 | Y459-K605 HydrophobicContact CE2-CG 3.86Å; Y459-K605 WeakPolarHBondContact CE2-O 3.5Å; V462-K605 HydrophobicContact CG1-CB 3.95Å; V462-K605 HydrophobicContact CG1-CG 4.1Å; T463-K605 HydrophobicContact CG2-CD 3.86Å; T463-K605 HydrophobicContact CG2-CG 4.16Å; F601-K605 PolarHBondContact O-N 3.16Å; K605-R609 PolarHBondContact O-N 3.27Å |
| 606 | P | 97 | Very high | 93.9 | Very high | 54 Ų | 54 | 65.6 Ų | 65.6 | 35% | 0.351 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65 | -45.7 | 176.5 | 24.1 | -33.1 | 0 | 0 | 0 | 112.3 | S602 M603 I608 R609 E610 | S602-P606 VanDerWaalsContact O-CD 3.22Å; S602-P606 WeakPolarHBondContact O-CD 3.5Å; M603-P606 WeakPolarHBondContact O-CD 3.48Å; M603-P606 WeakPolarHBondContact O-CG 3.46Å; P606-I608 PolarHBondContact O-N 3.19Å; P606-R609 WeakPolarHBondContact O-CA 3.4Å; P606-R609 VanDerWaalsContact O-CB 3.25Å; P606-R609 WeakPolarHBondContact O-CB 3.38Å; P606-R609 PolarHBondContact O-N 3.1Å; P606-E610 WeakPolarHBondContact O-CG 3.32Å; P606-E610 PolarHBondContact O-N 3.02Å |
| 607 | R | 96.3 | Very high | 92.9 | Very high | 76 Ų | 76 | 63.7 Ų | 63.7 | 29% | 0.287 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.5 | -42.9 | -177.3 | -63.8 | 174.6 | 68.7 | -168.5 | 1.1 | 112.6 | I586 Q589 L604 R609 E610 L611 | I586-R607 HydrophobicContact CD1-CB 4Å; Q589-R607 VanDerWaalsContact OE1-CZ 3.29Å; L604-R607 PolarHBondContact O-N 3.34Å; R607-R609 VanDerWaalsContact C-N 3.33Å; R607-E610 PolarHBondContact O-N 2.86Å; R607-L611 WeakPolarHBondContact O-CG 3.25Å; R607-L611 PolarHBondContact O-N 2.87Å |
| 608 | I | 94.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.3 | -32.6 | 176.4 | -62.8 | 173.3 | 0 | 0 | 0 | 111.1 | Y459 V462 F540 I544 L604 P606 I612 | Y459-I608 HydrophobicContact CD2-CG2 4.49Å; V462-I608 HydrophobicContact CB-CD1 4.29Å; V462-I608 HydrophobicContact CG1-CD1 4.32Å; V462-I608 HydrophobicContact CG2-CD1 4.26Å; F540-I608 HydrophobicContact CE1-CD1 3.89Å; F540-I608 HydrophobicContact CZ-CD1 3.98Å; I544-I608 HydrophobicContact CD1-CD1 4.12Å; L604-I608 HydrophobicContact CB-CD1 4.35Å; L604-I608 WeakPolarHBondContact O-CG1 3.36Å; L604-I608 PolarHBondContact O-N 2.78Å; P606-I608 PolarHBondContact O-N 3.19Å; I608-I612 WeakPolarHBondContact O-CG1 3.42Å; I608-I612 PolarHBondContact O-N 2.87Å |
| 609 | R | 94.9 | Very high | 90 | Very high | 155 Ų | 155 | 63.7 Ų | 63.7 | 59% | 0.585 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -65.2 | -43.8 | 174 | -168.6 | -175.3 | 176.6 | -170.9 | -1 | 112 | Y459 K605 P606 R607 I612 V613 | Y459-R609 HydrophobicContact CD2-CB 4.04Å; Y459-R609 HydrophobicContact CE2-CB 3.65Å; Y459-R609 HydrophobicContact CE2-CG 4.06Å; K605-R609 PolarHBondContact O-N 3.27Å; P606-R609 WeakPolarHBondContact O-CA 3.4Å; P606-R609 VanDerWaalsContact O-CB 3.25Å; P606-R609 WeakPolarHBondContact O-CB 3.38Å; P606-R609 PolarHBondContact O-N 3.1Å; R607-R609 VanDerWaalsContact C-N 3.33Å; R609-I612 WeakPolarHBondContact O-CB 3.44Å; R609-I612 PolarHBondContact O-N 2.7Å; R609-V613 PolarHBondContact O-N 2.93Å; R609-V613 VanDerWaalsContact O-N 3.14Å |
| 610 | E | 93.3 | Very high | 88.2 | Confident | 106 Ų | 106 | 66.9 Ų | 66.9 | 50% | 0.495 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 178 | -72.5 | 149.6 | -155.2 | 0 | 0 | 111.3 | P606 R607 I612 V613 Q614 | P606-E610 WeakPolarHBondContact O-CG 3.32Å; P606-E610 PolarHBondContact O-N 3.02Å; R607-E610 PolarHBondContact O-N 2.86Å; E610-I612 VanDerWaalsContact C-N 3.32Å; E610-I612 PolarHBondContact O-N 3.41Å; E610-V613 PolarHBondContact O-N 2.94Å; E610-V613 VanDerWaalsContact O-N 3.12Å; E610-Q614 WeakPolarHBondContact O-CG 3.37Å; E610-Q614 PolarHBondContact O-N 2.8Å |
| 611 | L | 89.9 | Confident | 85.9 | Confident | 10 Ų | 10 | 68.3 Ų | 68.3 | 5% | 0.052 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.3 | -37.2 | 174.7 | -69.7 | 174.6 | 0 | 0 | 0 | 113.1 | S582 L583 I586 R607 Y615 | S582-L611 WeakPolarHBondContact OG-CD2 3.49Å; L583-L611 HydrophobicContact CB-CD1 3.99Å; L583-L611 HydrophobicContact CD1-CD1 3.96Å; I586-L611 HydrophobicContact CD1-CD1 3.6Å; R607-L611 WeakPolarHBondContact O-CG 3.25Å; R607-L611 PolarHBondContact O-N 2.87Å; L611-Y615 WeakPolarHBondContact O-CB 3.46Å; L611-Y615 PolarHBondContact O-N 3.16Å |
| 612 | I | 89.8 | Confident | 83.4 | Confident | 16 Ų | 16 | 74.4 Ų | 74.4 | 8% | 0.082 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 173.9 | -69.9 | 163.4 | 0 | 0 | 0 | 111.3 | L455 Y459 I608 R609 E610 K616 | L455-I612 HydrophobicContact CB-CD1 4.39Å; L455-I612 HydrophobicContact CB-CG1 3.67Å; Y459-I612 VanDerWaalsContact CB-CD1 3.43Å; Y459-I612 HydrophobicContact CD1-CD1 4.49Å; Y459-I612 HydrophobicContact CG-CD1 3.97Å; I608-I612 WeakPolarHBondContact O-CG1 3.42Å; I608-I612 PolarHBondContact O-N 2.87Å; R609-I612 WeakPolarHBondContact O-CB 3.44Å; R609-I612 PolarHBondContact O-N 2.7Å; E610-I612 VanDerWaalsContact C-N 3.32Å; E610-I612 PolarHBondContact O-N 3.41Å; I612-K616 HydrophobicContact CG2-CD 4.11Å; I612-K616 HydrophobicContact CG2-CG 4.47Å; I612-K616 WeakPolarHBondContact O-CB 3.27Å; I612-K616 WeakPolarHBondContact O-CG 3.28Å; I612-K616 PolarHBondContact O-N 3.32Å |
| 613 | V | 89.5 | Confident | 80.1 | Confident | 86 Ų | 86 | 78.9 Ų | 78.9 | 52% | 0.521 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.2 | -48.2 | 178.2 | 174.9 | 0 | 0 | 0 | 0 | 110 | R609 E610 Y615 K616 S617 | R609-V613 PolarHBondContact O-N 2.93Å; R609-V613 VanDerWaalsContact O-N 3.14Å; E610-V613 PolarHBondContact O-N 2.94Å; E610-V613 VanDerWaalsContact O-N 3.12Å; V613-Y615 PolarHBondContact O-N 2.82Å; V613-K616 PolarHBondContact O-N 3.44Å; V613-S617 PolarHBondContact O-N 3.06Å; V613-S617 VanDerWaalsContact O-N 3.1Å; V613-S617 PolarHBondContact O-OG 3.36Å |
| 614 | Q | 86 | Confident | 76.9 | Confident | 108 Ų | 108 | 78.1 Ų | 78.1 | 51% | 0.505 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -56.6 | -51.4 | 176.3 | -69.7 | 172.2 | -2.2 | 0 | 0 | 111.7 | E610 K616 S617 T618 | E610-Q614 WeakPolarHBondContact O-CG 3.37Å; E610-Q614 PolarHBondContact O-N 2.8Å; Q614-K616 VanDerWaalsContact C-N 3.34Å; Q614-K616 PolarHBondContact O-N 3.49Å; Q614-S617 WeakPolarHBondContact O-CB 3.46Å; Q614-S617 PolarHBondContact O-N 2.65Å; Q614-T618 PolarHBondContact O-N 2.86Å; Q614-T618 PolarHBondContact O-OG1 2.82Å |
| 615 | Y | 82 | Confident | 73.7 | Confident | 69 Ų | 69 | 84.5 Ų | 84.5 | 27% | 0.271 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.6 | -31.8 | -178.7 | -100.2 | -101.9 | 0 | 0 | 0 | 113.9 | I451 L455 P580 L611 V613 S619 | I451-Y615 HydrophobicContact CG1-CD1 4.36Å; I451-Y615 HydrophobicContact CG1-CE1 4.44Å; I451-Y615 HydrophobicContact CG2-CD1 3.96Å; I451-Y615 HydrophobicContact CG2-CE1 4.37Å; L455-Y615 HydrophobicContact CD1-CD1 4.4Å; L455-Y615 HydrophobicContact CD1-CD2 4.48Å; L455-Y615 HydrophobicContact CD1-CG 3.96Å; P580-Y615 HydrophobicContact CB-CD2 4.48Å; P580-Y615 HydrophobicContact CB-CE2 3.58Å; P580-Y615 HydrophobicContact CG-CD2 4.15Å; P580-Y615 HydrophobicContact CG-CE1 4.11Å; P580-Y615 HydrophobicContact CG-CE2 3.56Å; L611-Y615 WeakPolarHBondContact O-CB 3.46Å; L611-Y615 PolarHBondContact O-N 3.16Å; V613-Y615 PolarHBondContact O-N 2.82Å; Y615-S619 WeakPolarHBondContact O-CB 3.41Å; Y615-S619 PolarHBondContact O-N 3.22Å; Y615-S619 PolarHBondContact O-OG 3.36Å |
| 616 | K | 81.4 | Confident | 70.3 | Confident | 113 Ų | 113 | 90.9 Ų | 90.9 | 49% | 0.491 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 172.1 | -78.7 | -178.1 | 177.3 | -170.4 | 0 | 111.4 | T452 I612 V613 Q614 S619 A620 | T452-K616 HydrophobicContact CG2-CD 4.21Å; T452-K616 VanDerWaalsContact CG2-CE 3.42Å; T452-K616 HydrophobicContact CG2-CG 3.67Å; I612-K616 HydrophobicContact CG2-CD 4.11Å; I612-K616 HydrophobicContact CG2-CG 4.47Å; I612-K616 WeakPolarHBondContact O-CB 3.27Å; I612-K616 WeakPolarHBondContact O-CG 3.28Å; I612-K616 PolarHBondContact O-N 3.32Å; V613-K616 PolarHBondContact O-N 3.44Å; Q614-K616 VanDerWaalsContact C-N 3.34Å; Q614-K616 PolarHBondContact O-N 3.49Å; K616-S619 PolarHBondContact O-N 3.42Å; K616-A620 PolarHBondContact O-N 3.15Å |
| 617 | S | 75.3 | Confident | 67.1 | Low | 76 Ų | 76 | 95.5 Ų | 95.5 | 53% | 0.531 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.8 | -48.4 | 175.5 | -56.9 | 0 | 0 | 0 | 0 | 112 | V613 Q614 S619 A620 S621 | V613-S617 PolarHBondContact O-N 3.06Å; V613-S617 VanDerWaalsContact O-N 3.1Å; V613-S617 PolarHBondContact O-OG 3.36Å; Q614-S617 WeakPolarHBondContact O-CB 3.46Å; Q614-S617 PolarHBondContact O-N 2.65Å; S617-S619 VanDerWaalsContact C-N 3.3Å; S617-S619 PolarHBondContact O-N 2.98Å; S617-A620 PolarHBondContact O-N 3.47Å; S617-S621 PolarHBondContact O-N 3.04Å; S617-S621 PolarHBondContact O-OG 3.17Å |
| 618 | T | 70.6 | Confident | 63.9 | Low | 75 Ų | 75 | 99.1 Ų | 99.1 | 46% | 0.46 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.7 | -33.1 | 178.7 | -49.7 | 0 | 0 | 0 | 0 | 112.8 | Q614 S621 L622 | Q614-T618 PolarHBondContact O-N 2.86Å; Q614-T618 PolarHBondContact O-OG1 2.82Å; T618-S621 WeakPolarHBondContact CA-OG 3.45Å; T618-S621 PolarHBondContact O-OG 2.98Å; T618-L622 HydrophobicContact CG2-CD1 4.36Å; T618-L622 WeakPolarHBondContact O-CD1 3.43Å; T618-L622 WeakPolarHBondContact O-CG 3.21Å |
| 619 | S | 66 | Low | 60.7 | Low | 49 Ų | 49 | 104.5 Ų | 104.5 | 34% | 0.343 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.3 | -42 | 175.5 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | Y615 K616 S617 S621 L622 | Y615-S619 WeakPolarHBondContact O-CB 3.41Å; Y615-S619 PolarHBondContact O-N 3.22Å; Y615-S619 PolarHBondContact O-OG 3.36Å; K616-S619 PolarHBondContact O-N 3.42Å; S617-S619 VanDerWaalsContact C-N 3.3Å; S617-S619 PolarHBondContact O-N 2.98Å; S619-S621 VanDerWaalsContact C-N 3.27Å; S619-S621 PolarHBondContact O-N 3.49Å; S619-L622 PolarHBondContact O-N 2.99Å; S619-L622 VanDerWaalsContact O-N 3.12Å |
| 620 | A | 59.4 | Low | 57.6 | Low | 81 Ų | 81 | 104 Ų | 104 | 67% | 0.669 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.3 | -29 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K616 S617 L622 | K616-A620 PolarHBondContact O-N 3.15Å; S617-A620 PolarHBondContact O-N 3.47Å; A620-L622 PolarHBondContact O-N 2.89Å |
| 621 | S | 51 | Low | 54.6 | Low | 88 Ų | 88 | 101.9 Ų | 101.9 | 62% | 0.615 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 6.8 | 173.8 | 53.8 | 0 | 0 | 0 | 0 | 115 | S617 T618 S619 | S617-S621 PolarHBondContact O-N 3.04Å; S617-S621 PolarHBondContact O-OG 3.17Å; T618-S621 WeakPolarHBondContact CA-OG 3.45Å; T618-S621 PolarHBondContact O-OG 2.98Å; S619-S621 VanDerWaalsContact C-N 3.27Å; S619-S621 PolarHBondContact O-N 3.49Å |
| 622 | L | 45.9 | Very low | 51.6 | Low | 133 Ų | 133 | 107.7 Ų | 107.7 | 70% | 0.696 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.3 | 3.2 | -175.7 | -76.2 | 172.6 | 0 | 0 | 0 | 114.9 | T618 S619 A620 | T618-L622 HydrophobicContact CG2-CD1 4.36Å; T618-L622 WeakPolarHBondContact O-CD1 3.43Å; T618-L622 WeakPolarHBondContact O-CG 3.21Å; S619-L622 PolarHBondContact O-N 2.99Å; S619-L622 VanDerWaalsContact O-N 3.12Å; A620-L622 PolarHBondContact O-N 2.89Å |
| 623 | E | 27.2 | Very low | 48.8 | Very low | 161 Ų | 161 | 113.8 Ų | 113.8 | 75% | 0.752 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -80.8 | 129.8 | 165.1 | -67.8 | -160.2 | 158.8 | 0 | 0 | 110.4 | V625 | E623-V625 PolarHBondContact O-N 3.15Š|
| 624 | P | 30.4 | Very low | 46 | Very low | 102 Ų | 102 | 115.2 Ų | 115.2 | 66% | 0.662 | 65% | 0.654 | S | S | * | * | trans | -70.1 | 121.5 | 174.3 | 28.8 | -32.6 | 0 | 0 | 0 | 109.4 | Y626 | P624-Y626 VanDerWaalsContact C-N 3.34Å; P624-Y626 HydrophobicContact CB-CD2 4.37Å; P624-Y626 PolarHBondContact O-N 3.16Å | ||
| 625 | V | 30.1 | Very low | 43.2 | Very low | 135 Ų | 135 | 117.3 Ų | 117.3 | 82% | 0.818 | 66% | 0.664 | S | S | * | * | trans | -68.4 | 88.5 | -178 | -178.4 | 0 | 0 | 0 | 0 | 110.7 | E623 L627 | E623-V625 PolarHBondContact O-N 3.15Å; V625-L627 PolarHBondContact O-N 3.42Å | ||
| 626 | Y | 25.9 | Very low | 40.7 | Very low | 215 Ų | 215 | 120.9 Ų | 120.9 | 84% | 0.843 | 69% | 0.687 | S | S | * | * | trans | -96.3 | 64.2 | 167.9 | -93.3 | -79.9 | 0 | 0 | 0 | 111 | P624 | P624-Y626 VanDerWaalsContact C-N 3.34Å; P624-Y626 HydrophobicContact CB-CD2 4.37Å; P624-Y626 PolarHBondContact O-N 3.16Å | ||
| 627 | L | 29.2 | Very low | 38.3 | Very low | 151 Ų | 151 | 121.4 Ų | 121.4 | 79% | 0.791 | 70% | 0.695 | S | S | * | * | trans | -151.2 | 128 | 149.9 | -144.1 | 73 | 0 | 0 | 0 | 111.2 | V625 | V625-L627 PolarHBondContact O-N 3.42Š| ||
| 628 | N | 30.3 | Very low | 35.9 | Very low | 151 Ų | 151 | 125.4 Ų | 125.4 | 81% | 0.807 | 71% | 0.706 | S | S | * | * | trans | -77.3 | 138.4 | 176.9 | -77 | -31.1 | 0 | 0 | 0 | 111.5 | ||||
| 629 | C | 26.1 | Very low | 34 | Very low | 114 Ų | 114 | 128 Ų | 128 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | trans | 28.4 | 124.7 | 138.5 | -48.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 630 | V | 29.5 | Very low | 32.2 | Very low | 146 Ų | 146 | 131 Ų | 131 | 89% | 0.885 | 74% | 0.739 | S | S | * | * | 173.7 | 137.7 | 107.6 | 152.7 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 631 | G | 31.3 | Very low | 30.8 | Very low | 61 Ų | 61 | 136 Ų | 136 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | trans | 81.9 | 112 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 632 | V | 26.7 | Very low | 29.7 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | cis | 64.5 | 108.4 | 32 | -165 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 633 | D | 32 | Very low | 28.7 | Very low | 143 Ų | 143 | 141.5 Ų | 141.5 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | -153.5 | -163.6 | 55.5 | -137.4 | -41 | 0 | 0 | 0 | 116.1 | |||||
| 634 | N | 29.6 | Very low | 28.6 | Very low | 116 Ų | 116 | 142 Ų | 142 | 62% | 0.62 | 76% | 0.759 | S | S | * | * | trans | -103.1 | 149.8 | -153.8 | -77.4 | -84.1 | 0 | 0 | 0 | 119.6 | ||||
| 635 | Q | 26.8 | Very low | 28.3 | Very low | 153 Ų | 153 | 143.6 Ų | 143.6 | 72% | 0.715 | 76% | 0.762 | S | S | * | * | trans | 39.1 | 125.5 | 134.1 | -53.6 | 171 | 33.3 | 0 | 0 | 121.4 | ||||
| 636 | N | 30.5 | Very low | 28.1 | Very low | 143 Ų | 143 | 145.8 Ų | 145.8 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | -172.8 | 127.8 | 104 | -96.3 | -19.7 | 0 | 0 | 0 | 116.5 | |||||
| 637 | D | 29.7 | Very low | 28 | Very low | 124 Ų | 124 | 146.4 Ų | 146.4 | 66% | 0.663 | 77% | 0.77 | S | S | * | * | trans | 20.8 | 133.9 | 146.5 | -82.4 | -28 | 0 | 0 | 0 | 127.3 | ||||
| 638 | Q | 26.5 | Very low | 27.8 | Very low | 160 Ų | 160 | 150 Ų | 150 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | 55.1 | 117.9 | 126.3 | -60 | 170.5 | 46.8 | 0 | 0 | 122.3 | |||||
| 639 | S | 30.9 | Very low | 27.6 | Very low | 130 Ų | 130 | 149.7 Ų | 149.7 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | -171 | 169.2 | 94.2 | 38.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 640 | D | 28.2 | Very low | 27.5 | Very low | 113 Ų | 113 | 152 Ų | 152 | 60% | 0.604 | 78% | 0.775 | S | S | * | * | trans | -131.2 | 156.6 | -156.3 | -168.5 | 15.5 | 0 | 0 | 0 | 113.9 | ||||
| 641 | R | 28.8 | Very low | 27.3 | Very low | 184 Ų | 184 | 152.5 Ų | 152.5 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | trans | 59.6 | 116.9 | 168.7 | -73.1 | 159.7 | -130.2 | -159.6 | 3.6 | 119.7 | Y643 | R641-Y643 HydrophobicContact CG-CD2 4.01Å; R641-Y643 HydrophobicContact CG-CE2 4.08Å | ||
| 642 | T | 28.8 | Very low | 27.1 | Very low | 145 Ų | 145 | 156 Ų | 156 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | -138.7 | 125.7 | 108.4 | -66.2 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 643 | Y | 24.5 | Very low | 27.1 | Very low | 193 Ų | 193 | 155.2 Ų | 155.2 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | trans | -95.4 | 120.2 | -178.9 | -91.8 | -110 | 0 | 0 | 0 | 111.3 | R641 | R641-Y643 HydrophobicContact CG-CD2 4.01Å; R641-Y643 HydrophobicContact CG-CE2 4.08Å | ||
| 644 | Q | 23.9 | Very low | 26.9 | Very low | 170 Ų | 170 | 154.5 Ų | 154.5 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | 177 | 163.5 | 117.7 | -96.3 | -176.7 | 21.6 | 0 | 0 | 111.5 | |||||
| 645 | N | 24.8 | Very low | 26.9 | Very low | 137 Ų | 137 | 158.5 Ų | 158.5 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | trans | 60.7 | 87.8 | 171.7 | -60.5 | -38.2 | 0 | 0 | 0 | 117.5 | ||||
| 646 | Q | 26.2 | Very low | 26.8 | Very low | 180 Ų | 180 | 156.8 Ų | 156.8 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | 165.6 | 97.4 | 115.6 | -88.9 | 174 | 63.2 | 0 | 0 | 112 | |||||
| 647 | F | 24.6 | Very low | 26.9 | Very low | 228 Ų | 228 | 156 Ų | 156 | 100% | 1 | 80% | 0.799 | S | S | * | * | trans | -97.5 | 94.5 | 153.2 | -92.1 | -77 | 0 | 0 | 0 | 108.9 | ||||
| 648 | R | 24.8 | Very low | 27 | Very low | 227 Ų | 227 | 160.3 Ų | 160.3 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | trans | -122.5 | 142.1 | 166.8 | -145 | 178.7 | -165.3 | -176.1 | 4.6 | 108.9 | N650 | R648-N650 PolarHBondContact O-N 2.95Š| ||
| 649 | I | 24.8 | Very low | 27.1 | Very low | 145 Ų | 145 | 162 Ų | 162 | 74% | 0.744 | 82% | 0.82 | S | S | * | * | trans | -69.7 | 124.7 | -167.3 | -58.9 | 155.5 | 0 | 0 | 0 | 110.4 | L651 | I649-L651 HydrophobicContact CG2-CB 4.46Å; I649-L651 HydrophobicContact CG2-CD1 4.03Å; I649-L651 HydrophobicContact CG2-CG 3.86Å | ||
| 650 | N | 23.9 | Very low | 26.9 | Very low | 162 Ų | 162 | 161 Ų | 161 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | -113.1 | 96.7 | 161.6 | -90 | -20.7 | 0 | 0 | 0 | 108.8 | R648 | R648-N650 PolarHBondContact O-N 2.95Š| ||
| 651 | L | 25.9 | Very low | 27.1 | Very low | 157 Ų | 157 | 161.8 Ų | 161.8 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 121 | 164.1 | -77.2 | 167.6 | 0 | 0 | 0 | 107.8 | I649 | I649-L651 HydrophobicContact CG2-CB 4.46Å; I649-L651 HydrophobicContact CG2-CD1 4.03Å; I649-L651 HydrophobicContact CG2-CG 3.86Å |
| 652 | T | 26.6 | Very low | 27 | Very low | 134 Ų | 134 | 160.7 Ų | 160.7 | 82% | 0.822 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 132.4 | 178.6 | 36.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 653 | P | 27 | Very low | 27.1 | Very low | 116 Ų | 116 | 162.6 Ų | 162.6 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 147.1 | 166.7 | -11 | 26.6 | 0 | 0 | 0 | 110.9 | ||
| 654 | P | 27.7 | Very low | 27.6 | Very low | 128 Ų | 128 | 158.9 Ų | 158.9 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 152.2 | 174.6 | 29.7 | -34.5 | 0 | 0 | 0 | 112.3 | ||
| 655 | K | 29.2 | Very low | 27.9 | Very low | 199 Ų | 199 | 156.8 Ų | 156.8 | 87% | 0.865 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 151.2 | 178.5 | -69.2 | -179.5 | 179.3 | 177.6 | 0 | 111.9 | ||
| 656 | P | 26.5 | Very low | 28.1 | Very low | 117 Ų | 117 | 159.8 Ų | 159.8 | 76% | 0.76 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -80 | 153.7 | -176.9 | 32.8 | -36.5 | 0 | 0 | 0 | 113.8 | ||
| 657 | P | 31.1 | Very low | 28.4 | Very low | 127 Ų | 127 | 157.1 Ų | 157.1 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 167.3 | 167.4 | 32.5 | -34.5 | 0 | 0 | 0 | 112.5 | ||
| 658 | K | 33 | Very low | 28.4 | Very low | 214 Ų | 214 | 157 Ų | 157 | 93% | 0.93 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -86 | 160.1 | -168.6 | -62.2 | 179.2 | -179.1 | 178.2 | 0 | 113.9 | ||
| 659 | Q | 27.3 | Very low | 28.6 | Very low | 197 Ų | 197 | 153.5 Ų | 153.5 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 155.9 | 178.7 | -61.7 | 168.5 | -40.6 | 0 | 0 | 113.5 | ||
| 660 | S | 28.5 | Very low | 28.9 | Very low | 109 Ų | 109 | 150.2 Ų | 150.2 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | -152.2 | 144.9 | 147.7 | 51.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 661 | T | 31.3 | Very low | 29.1 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | 20.4 | 106.9 | 164.6 | 35.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 662 | I | 27.5 | Very low | 29.2 | Very low | 161 Ų | 161 | 148.1 Ų | 148.1 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | 68.9 | 103.2 | 52 | -50.4 | 175.6 | 0 | 0 | 0 | 114.4 | |||||
| 663 | Q | 30.9 | Very low | 29.3 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -138.8 | 158.4 | 146.5 | -86.4 | -159 | 6.4 | 0 | 0 | 108.4 | ||||
| 664 | P | 34.3 | Very low | 29.6 | Very low | 116 Ų | 116 | 148.8 Ų | 148.8 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 155.8 | -156.7 | 30.6 | -36.3 | 0 | 0 | 0 | 115.9 | ||
| 665 | P | 29.8 | Very low | 29.8 | Very low | 125 Ų | 125 | 152.3 Ų | 152.3 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 155.3 | -175.1 | 34.8 | -36.5 | 0 | 0 | 0 | 114.1 | ||
| 666 | K | 30.4 | Very low | 29.8 | Very low | 200 Ų | 200 | 147.1 Ų | 147.1 | 87% | 0.87 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 151.5 | 161.3 | -73.9 | -172.5 | 177.7 | -178.1 | 0 | 110.5 | ||
| 667 | P | 30.9 | Very low | 30.2 | Very low | 125 Ų | 125 | 148.9 Ų | 148.9 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -75 | 156.7 | -163.2 | 28.5 | -36.1 | 0 | 0 | 0 | 115.3 | ||
| 668 | Y | 24.6 | Very low | 30.2 | Very low | 225 Ų | 225 | 146.4 Ų | 146.4 | 88% | 0.882 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 140.7 | 174.4 | -135.5 | -108.1 | 0 | 0 | 0 | 111.5 | ||
| 669 | M | 30.1 | Very low | 29.9 | Very low | 153 Ų | 153 | 140.3 Ų | 140.3 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 143.9 | 158.1 | -80 | -166.8 | 71.6 | 0 | 0 | 110.2 | ||
| 670 | S | 30.4 | Very low | 29.9 | Very low | 77 Ų | 77 | 138.4 Ų | 138.4 | 54% | 0.538 | 72% | 0.719 | S | S | . | * | P | Polyproline II helix | trans | -80.6 | 149.7 | -170.3 | 56.7 | 0 | 0 | 0 | 0 | 113.1 | Q672 S673 | S670-Q672 PolarHBondContact O-N 3.34Å; S670-S673 PolarHBondContact O-N 3.29Å |
| 671 | L | 27.3 | Very low | 30.1 | Very low | 147 Ų | 147 | 137.6 Ų | 137.6 | 77% | 0.77 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -56.5 | -17.7 | 176.2 | -86.5 | 158 | 0 | 0 | 0 | 114.4 | S673 R674 | L671-S673 PolarHBondContact O-N 3.47Å; L671-R674 PolarHBondContact O-N 2.85Å |
| 672 | Q | 27.9 | Very low | 29.8 | Very low | 127 Ų | 127 | 137.7 Ų | 137.7 | 59% | 0.593 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -59.5 | -42.1 | 178.2 | -156.9 | 69.5 | 20.3 | 0 | 0 | 112.5 | S670 R674 W675 | S670-Q672 PolarHBondContact O-N 3.34Å; Q672-R674 PolarHBondContact O-N 2.86Å; Q672-W675 PolarHBondContact O-N 2.81Å; Q672-W675 VanDerWaalsContact O-N 3.16Å |
| 673 | S | 30.4 | Very low | 29.8 | Very low | 62 Ų | 62 | 141 Ų | 141 | 43% | 0.434 | 71% | 0.707 | S | S | . | * | G | 310 helix | trans | -70.5 | -3.9 | -175.2 | 79.4 | 0 | 0 | 0 | 0 | 114.1 | S670 L671 | S670-S673 PolarHBondContact O-N 3.29Å; L671-S673 PolarHBondContact O-N 3.47Å |
| 674 | R | 33.3 | Very low | 29.5 | Very low | 203 Ų | 203 | 137.1 Ų | 137.1 | 77% | 0.766 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -94.6 | -7 | 178.3 | -140.2 | 174.5 | -176.6 | -176 | -0.7 | 113.3 | L671 Q672 | L671-R674 PolarHBondContact O-N 2.85Å; Q672-R674 PolarHBondContact O-N 2.86Å |
| 675 | W | 30.5 | Very low | 29 | Very low | 202 Ų | 202 | 140.3 Ų | 140.3 | 77% | 0.765 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -38.9 | 175.9 | -128.2 | -47.8 | 0 | 0 | 0 | 111.9 | Q672 E677 A678 | Q672-W675 PolarHBondContact O-N 2.81Å; Q672-W675 VanDerWaalsContact O-N 3.16Å; W675-E677 PolarHBondContact O-N 3.02Å; W675-E677 VanDerWaalsContact O-N 3.14Å; W675-A678 PolarHBondContact O-N 3.1Å |
| 676 | D | 30.6 | Very low | 28.9 | Very low | 90 Ų | 90 | 142.7 Ų | 142.7 | 48% | 0.481 | 70% | 0.703 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.9 | 5.8 | -177.5 | -65.8 | -44.4 | 0 | 0 | 0 | 115.4 | K680 | D676-K680 WeakPolarHBondContact O-CD 3.23Å; D676-K680 WeakPolarHBondContact O-CE 3.39Å; D676-K680 PolarHBondContact O-NZ 3.1Å |
| 677 | E | 33.6 | Very low | 28.7 | Very low | 153 Ų | 153 | 139.6 Ų | 139.6 | 72% | 0.715 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | -27.8 | 175.2 | -161.6 | 162.2 | -126.7 | 0 | 0 | 111.6 | W675 | W675-E677 PolarHBondContact O-N 3.02Å; W675-E677 VanDerWaalsContact O-N 3.14Å |
| 678 | A | 30.7 | Very low | 28.4 | Very low | 76 Ų | 76 | 141.1 Ų | 141.1 | 63% | 0.628 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -77 | -22.4 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | W675 K680 | W675-A678 PolarHBondContact O-N 3.1Å; A678-K680 VanDerWaalsContact C-N 3.3Å; A678-K680 PolarHBondContact O-N 2.86Å |
| 679 | S | 27.7 | Very low | 28.6 | Very low | 85 Ų | 85 | 135.9 Ų | 135.9 | 59% | 0.594 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -81.3 | 0.1 | -178.3 | 54.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 680 | K | 28.1 | Very low | 28.5 | Very low | 158 Ų | 158 | 134.2 Ų | 134.2 | 69% | 0.687 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -103.8 | 5.2 | -173.7 | -69.6 | 173.8 | -178.6 | 146.7 | 0 | 115.1 | D676 A678 N682 | D676-K680 WeakPolarHBondContact O-CD 3.23Å; D676-K680 WeakPolarHBondContact O-CE 3.39Å; D676-K680 PolarHBondContact O-NZ 3.1Å; A678-K680 VanDerWaalsContact C-N 3.3Å; A678-K680 PolarHBondContact O-N 2.86Å; K680-N682 PolarHBondContact O-N 2.97Å |
| 681 | V | 31.1 | Very low | 28.2 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 55% | 0.552 | 70% | 0.701 | S | S | * | * | trans | -77.6 | 107.4 | 173.6 | -178.2 | 0 | 0 | 0 | 0 | 109.4 | W683 | V681-W683 HydrophobicContact CG1-CZ2 4.3Å; V681-W683 PolarHBondContact O-N 3.14Å | ||
| 682 | N | 26.4 | Very low | 28.3 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | trans | -81.1 | 105.3 | -179.3 | -175.5 | 3.1 | 0 | 0 | 0 | 111.2 | K680 T684 | K680-N682 PolarHBondContact O-N 2.97Å; N682-T684 PolarHBondContact O-N 2.95Å; N682-T684 VanDerWaalsContact O-N 3.09Å; N682-T684 PolarHBondContact OD1-N 3.41Å; N682-T684 PolarHBondContact OD1-OG1 2.81Å | ||
| 683 | W | 26.2 | Very low | 28.4 | Very low | 229 Ų | 229 | 139.5 Ų | 139.5 | 87% | 0.867 | 71% | 0.708 | S | S | * | * | trans | -77.9 | 18.4 | -174.6 | -74.6 | 95.2 | 0 | 0 | 0 | 115.6 | V681 | V681-W683 HydrophobicContact CG1-CZ2 4.3Å; V681-W683 PolarHBondContact O-N 3.14Å | ||
| 684 | T | 24.5 | Very low | 28.2 | Very low | 105 Ų | 105 | 143.3 Ų | 143.3 | 64% | 0.644 | 72% | 0.723 | S | S | * | * | trans | -120.5 | 62.5 | -176.3 | 57.8 | 0 | 0 | 0 | 0 | 114.2 | N682 | N682-T684 PolarHBondContact O-N 2.95Å; N682-T684 VanDerWaalsContact O-N 3.09Å; N682-T684 PolarHBondContact OD1-N 3.41Å; N682-T684 PolarHBondContact OD1-OG1 2.81Å | ||
| 685 | K | 24.7 | Very low | 28.2 | Very low | 182 Ų | 182 | 138.2 Ų | 138.2 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | trans | 174 | 115 | 148.2 | -100.4 | 158.6 | -175.6 | -179.8 | 0 | 112.4 | ||||
| 686 | L | 26.5 | Very low | 28 | Very low | 175 Ų | 175 | 135.1 Ų | 135.1 | 92% | 0.916 | 72% | 0.715 | S | S | * | * | trans | -160.3 | 90.6 | 136.8 | -135.3 | 127.2 | 0 | 0 | 0 | 109.6 | ||||
| 687 | D | 27.6 | Very low | 27.9 | Very low | 135 Ų | 135 | 138 Ų | 138 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | trans | -69.9 | 150.4 | -179.4 | -60.6 | -77.2 | 0 | 0 | 0 | 112.4 | ||||
| 688 | I | 24.8 | Very low | 27.7 | Very low | 158 Ų | 158 | 139.4 Ų | 139.4 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | trans | -104 | 120.3 | 172.4 | -58.2 | 167.6 | 0 | 0 | 0 | 108.8 | ||||
| 689 | P | 28.9 | Very low | 27.5 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | trans | -124.9 | 131.1 | 163.4 | 28.8 | -12.2 | 0 | 0 | 0 | 113.4 | G691 | P689-G691 PolarHBondContact O-N 3.14Š| ||
| 690 | S | 26.6 | Very low | 27.6 | Very low | 118 Ų | 118 | 149 Ų | 149 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | trans | -95.3 | 93.3 | -173.5 | -61.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 691 | G | 25.4 | Very low | 27.7 | Very low | 70 Ų | 70 | 146.3 Ų | 146.3 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | 62.9 | 151.4 | 146.3 | 0 | 0 | 0 | 0 | 0 | 121.9 | P689 | P689-G691 PolarHBondContact O-N 3.14Š| ||
| 692 | R | 28.5 | Very low | 27.5 | Very low | 210 Ų | 210 | 151.4 Ų | 151.4 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | 169.4 | 133.4 | 118.1 | -93.7 | -174.5 | 179.8 | -145.2 | 0.6 | 113.9 | |||||
| 693 | Y | 29.2 | Very low | 27.5 | Very low | 181 Ų | 181 | 154.2 Ų | 154.2 | 71% | 0.71 | 78% | 0.779 | S | S | * | * | trans | 69.6 | 152.6 | 149.4 | -69.8 | -144.3 | 0 | 0 | 0 | 115.9 | ||||
| 694 | L | 26.4 | Very low | 27.6 | Very low | 142 Ų | 142 | 149.7 Ų | 149.7 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | cis | -169.3 | -176 | -15.2 | -97.9 | -179.6 | 0 | 0 | 0 | 105.8 | ||||
| 695 | P | 34.7 | Very low | 27.8 | Very low | 97 Ų | 97 | 153 Ų | 153 | 63% | 0.63 | 79% | 0.787 | S | S | * | * | cis | -129.4 | 178 | -43.8 | 39.7 | -24.2 | 0 | 0 | 0 | 114.1 | ||||
| 696 | N | 26 | Very low | 27.9 | Very low | 136 Ų | 136 | 148.6 Ų | 148.6 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | 29.4 | 123.2 | 147.3 | -56.6 | 2.1 | 0 | 0 | 0 | 122 | ||||
| 697 | N | 29.2 | Very low | 28 | Very low | 152 Ų | 152 | 148.2 Ų | 148.2 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | 171 | 123.9 | 100.3 | -90.8 | -42.6 | 0 | 0 | 0 | 113.5 | |||||
| 698 | L | 28.7 | Very low | 27.9 | Very low | 182 Ų | 182 | 147 Ų | 147 | 95% | 0.953 | 78% | 0.781 | S | S | * | * | trans | -171.1 | 80.7 | 143.1 | -112.7 | 164.6 | 0 | 0 | 0 | 111.8 | ||||
| 699 | E | 25.5 | Very low | 28.4 | Very low | 190 Ų | 190 | 145.3 Ų | 145.3 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | trans | -143.8 | 104.6 | 166.1 | -169.3 | -178.7 | -133.7 | 0 | 0 | 111.3 | ||||
| 700 | K | 30 | Very low | 28.3 | Very low | 173 Ų | 173 | 145 Ų | 145 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | -157 | 143.1 | 164 | -71.8 | -165.5 | 178.7 | 178 | 0 | 106 | Y702 | K700-Y702 HydrophobicContact CD-CE2 4.29Å; K700-Y702 HydrophobicContact CG-CE2 4.22Å | ||
| 701 | S | 30.2 | Very low | 28.8 | Very low | 101 Ų | 101 | 144.7 Ų | 144.7 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | cis | -139.3 | 122.6 | 17 | -72.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 702 | Y | 28.6 | Very low | 28.8 | Very low | 198 Ų | 198 | 146.1 Ų | 146.1 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | 89.6 | 153.9 | 93.9 | -76.6 | -66.1 | 0 | 0 | 0 | 116.1 | K700 | K700-Y702 HydrophobicContact CD-CE2 4.29Å; K700-Y702 HydrophobicContact CG-CE2 4.22Å | |||
| 703 | K | 25 | Very low | 28.9 | Very low | 190 Ų | 190 | 147.4 Ų | 147.4 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | -115 | -179.6 | -163.7 | -67.2 | 178.1 | 175.7 | 176.2 | 0 | 112.6 | ||||
| 704 | T | 29.4 | Very low | 28.6 | Very low | 133 Ų | 133 | 146 Ų | 146 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | trans | 85.4 | 149.7 | 159.8 | 79.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 705 | M | 28.3 | Very low | 28.7 | Very low | 174 Ų | 174 | 145.1 Ų | 145.1 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | cis | -124 | 179.3 | 6 | -84.8 | -165.1 | 76.9 | 0 | 0 | 114 | ||||
| 706 | S | 27 | Very low | 28.2 | Very low | 90 Ų | 90 | 147.1 Ų | 147.1 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | trans | -79.8 | 156.4 | -174.1 | 51.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 707 | N | 28.6 | Very low | 28.4 | Very low | 167 Ų | 167 | 148.7 Ų | 148.7 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | -160.3 | 152.3 | 126.4 | -96.7 | -19.4 | 0 | 0 | 0 | 112.2 | |||||
| 708 | S | 25.7 | Very low | 28.2 | Very low | 111 Ų | 111 | 148.1 Ų | 148.1 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -112.8 | 174.6 | 177.6 | 64.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 709 | P | 34.7 | Very low | 28.1 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | cis | -142.6 | 180 | 31.4 | 42.4 | -21.4 | 0 | 0 | 0 | 118.3 | ||||
| 710 | S | 26.4 | Very low | 28 | Very low | 109 Ų | 109 | 143.3 Ų | 143.3 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | -79 | 176.5 | 171.8 | -23.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 711 | P | 36.9 | Very low | 28 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | cis | -154.1 | 163.7 | 45.9 | 43.4 | -21.3 | 0 | 0 | 0 | 121.3 | ||||
| 712 | S | 26.8 | Very low | 27.9 | Very low | 100 Ų | 100 | 143.5 Ų | 143.5 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | 53.3 | 116.1 | 141.5 | 66.6 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 713 | R | 29.3 | Very low | 28.3 | Very low | 236 Ų | 236 | 139.2 Ų | 139.2 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | -179 | 139.5 | 112.5 | -93.2 | 167.4 | -177.4 | -174.4 | 0.9 | 109 | |||||
| 714 | L | 24.1 | Very low | 28.4 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 80% | 0.801 | 78% | 0.781 | S | S | * | * | 83 | 114.5 | 50.5 | -114.8 | 175.8 | 0 | 0 | 0 | 115 | |||||
| 715 | V | 27.8 | Very low | 28.4 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 74% | 0.739 | 78% | 0.783 | S | S | * | * | trans | 146.3 | 143.7 | 136.8 | 169.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 716 | D | 23.2 | Very low | 28.5 | Very low | 139 Ų | 139 | 142 Ų | 142 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | -77.9 | -177.3 | -175.9 | -38.5 | -99.8 | 0 | 0 | 0 | 114.1 | ||||
| 717 | I | 31 | Very low | 28.6 | Very low | 170 Ų | 170 | 145.3 Ų | 145.3 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | -174.3 | 155.2 | 128.9 | -96.8 | 157 | 0 | 0 | 0 | 111.3 | |||||
| 718 | D | 24.6 | Very low | 29.1 | Very low | 140 Ų | 140 | 142.4 Ų | 142.4 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | -110.6 | 179.2 | -160.8 | -155.5 | 4.5 | 0 | 0 | 0 | 115.1 | ||||
| 719 | L | 26.1 | Very low | 29.3 | Very low | 129 Ų | 129 | 142.2 Ų | 142.2 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | trans | -31.2 | 138.1 | -176.5 | -70.3 | 152.5 | 0 | 0 | 0 | 121.6 | ||||
| 720 | N | 25.2 | Very low | 29.1 | Very low | 142 Ų | 142 | 144.9 Ų | 144.9 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | 45.2 | 131 | 136.3 | -69.3 | -28.3 | 0 | 0 | 0 | 122.6 | ||||
| 721 | S | 28.2 | Very low | 29.3 | Very low | 114 Ų | 114 | 147.8 Ų | 147.8 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | 179.7 | 141.6 | 105.9 | 42.6 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 722 | N | 28.2 | Very low | 29 | Very low | 164 Ų | 164 | 145.6 Ų | 145.6 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | 58.8 | 157.3 | 154.5 | -85.7 | -5.1 | 0 | 0 | 0 | 123.8 | ||||
| 723 | P | 36.7 | Very low | 29.1 | Very low | 108 Ų | 108 | 148.2 Ų | 148.2 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | -119 | 156.4 | -166.1 | 41.7 | -29.3 | 0 | 0 | 0 | 117.3 | ||||
| 724 | Q | 28.6 | Very low | 29.1 | Very low | 183 Ų | 183 | 145.2 Ų | 145.2 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | trans | 30.3 | 115.3 | 147.9 | -66.2 | -173.5 | -20.3 | 0 | 0 | 121.5 | ||||
| 725 | R | 29.8 | Very low | 29.5 | Very low | 226 Ų | 226 | 145.5 Ų | 145.5 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | 166 | 144.5 | 123.5 | -91.6 | 177.8 | -159.9 | -168.3 | 3.8 | 108.8 | |||||
| 726 | D | 29.2 | Very low | 29.7 | Very low | 145 Ų | 145 | 147.2 Ų | 147.2 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | cis | -133.9 | -174.9 | 8.5 | -80.6 | -55.7 | 0 | 0 | 0 | 112.5 | ||||
| 727 | I | 29.3 | Very low | 30 | Very low | 161 Ų | 161 | 145.3 Ų | 145.3 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | trans | -130.3 | 134.8 | -175.7 | -68.9 | 172.1 | 0 | 0 | 0 | 105.7 | ||||
| 728 | P | 38.3 | Very low | 30.1 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | -157.1 | 160.9 | 74 | 41.7 | -20.9 | 0 | 0 | 0 | 120.5 | |||||
| 729 | S | 31.7 | Very low | 30.4 | Very low | 107 Ų | 107 | 140.5 Ų | 140.5 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | 65.2 | 164 | 142.9 | 67 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 730 | F | 29.2 | Very low | 30.7 | Very low | 178 Ų | 178 | 144.8 Ų | 144.8 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | -166.5 | 129.3 | -52.1 | -149.1 | -107 | 0 | 0 | 0 | 107.3 | |||||
| 731 | H | 31 | Very low | 31 | Very low | 170 Ų | 170 | 144.9 Ų | 144.9 | 79% | 0.787 | 76% | 0.764 | S | S | * | * | trans | 64.9 | 142.7 | 173.9 | -74.3 | 27.5 | 0 | 0 | 0 | 118.1 | ||||
| 732 | G | 29.9 | Very low | 31 | Very low | 65 Ų | 65 | 143.6 Ų | 143.6 | 67% | 0.67 | 76% | 0.76 | S | S | * | * | cis | 172.6 | -170.1 | -8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 733 | M | 29.7 | Very low | 31 | Very low | 156 Ų | 156 | 141 Ų | 141 | 77% | 0.768 | 76% | 0.755 | S | S | * | * | trans | 70.4 | 115.1 | 168.7 | -58 | -172 | 69.6 | 0 | 0 | 119.5 | ||||
| 734 | K | 30.1 | Very low | 30.7 | Very low | 173 Ų | 173 | 141.9 Ų | 141.9 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | 46.4 | 138.1 | 122.5 | -60.8 | 176.6 | -174.2 | 173.2 | 0 | 118.3 | |||||
| 735 | K | 30.9 | Very low | 30.8 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | cis | -176.3 | 145.8 | 14.2 | -125 | -179.2 | 162.1 | -159.1 | 0 | 109.7 | ||||
| 736 | H | 32.3 | Very low | 30.7 | Very low | 157 Ų | 157 | 132.1 Ų | 132.1 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | 54.7 | 170.7 | 156.6 | -59.3 | -64.7 | 0 | 0 | 0 | 119.1 | ||||
| 737 | S | 29.5 | Very low | 30.7 | Very low | 100 Ų | 100 | 131.2 Ų | 131.2 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | -165.9 | 154.2 | -52 | 56.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 738 | A | 32.6 | Very low | 30.7 | Very low | 81 Ų | 81 | 130.5 Ų | 130.5 | 67% | 0.669 | 74% | 0.743 | S | S | * | * | trans | 77.2 | 100.3 | 154.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 739 | T | 31.7 | Very low | 30.5 | Very low | 128 Ų | 128 | 130.9 Ų | 130.9 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | 69.4 | 122.4 | 125.4 | 55 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 740 | R | 32 | Very low | 30.6 | Very low | 218 Ų | 218 | 130.6 Ų | 130.6 | 82% | 0.823 | 75% | 0.745 | S | S | * | * | 94.2 | 113.4 | 126 | -82.4 | -174.3 | 166.5 | 171.3 | -2.9 | 122.2 | |||||
| 741 | N | 31.1 | Very low | 30.8 | Very low | 144 Ų | 144 | 127.2 Ų | 127.2 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | 100.2 | 141.1 | 126.5 | -69.1 | 3.2 | 0 | 0 | 0 | 121.4 | |||||
| 742 | A | 30 | Very low | 30.9 | Very low | 87 Ų | 87 | 127.2 Ų | 127.2 | 72% | 0.719 | 75% | 0.745 | S | S | * | * | trans | 80.9 | 95.7 | 150.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 743 | S | 27.9 | Very low | 31 | Very low | 111 Ų | 111 | 127 Ų | 127 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | 85.4 | 160.8 | 121.8 | -56.2 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 744 | T | 30.9 | Very low | 31.2 | Very low | 125 Ų | 125 | 124.9 Ų | 124.9 | 77% | 0.767 | 74% | 0.742 | S | S | * | * | trans | 64.9 | 85.1 | 164.4 | 48.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 745 | S | 28.9 | Very low | 31.3 | Very low | 98 Ų | 98 | 122.8 Ų | 122.8 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | 32.4 | 112.6 | 119.7 | 59.8 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 746 | S | 28.8 | Very low | 31.3 | Very low | 107 Ų | 107 | 120 Ų | 120 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | 55.2 | 133.6 | 129.2 | 66.3 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 747 | V | 30 | Very low | 31.4 | Very low | 125 Ų | 125 | 118.4 Ų | 118.4 | 76% | 0.758 | 75% | 0.751 | S | S | * | * | -164.8 | 139.7 | 117.5 | 136.2 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 748 | N | 28.3 | Very low | 31.3 | Very low | 147 Ų | 147 | 119.6 Ų | 119.6 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | trans | -4.4 | 163.7 | 152.4 | -39.4 | -33.6 | 0 | 0 | 0 | 119.2 | ||||
| 749 | S | 33.5 | Very low | 31.2 | Very low | 113 Ų | 113 | 122.5 Ų | 122.5 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | cis | -164.9 | -177.2 | 33.6 | 67.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 750 | S | 33.6 | Very low | 31.1 | Very low | 100 Ų | 100 | 122.2 Ų | 122.2 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | cis | -154.7 | -179.2 | -7.1 | 43.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 751 | T | 34.1 | Very low | 31.1 | Very low | 108 Ų | 108 | 118.8 Ų | 118.8 | 66% | 0.663 | 77% | 0.765 | S | S | * | * | -179.7 | 121 | 65.4 | -61.6 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 752 | L | 33.5 | Very low | 31 | Very low | 170 Ų | 170 | 122 Ų | 122 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | trans | 53.8 | 148.1 | 152.7 | -57.8 | 170.3 | 0 | 0 | 0 | 121 | ||||
| 753 | G | 31.8 | Very low | 31.1 | Very low | 59 Ų | 59 | 121.3 Ų | 121.3 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | cis | -160.3 | 149.3 | -2.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 754 | S | 33.1 | Very low | 31.3 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | 65.5 | 137.3 | 87.3 | 71 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 755 | V | 33.4 | Very low | 31.2 | Very low | 129 Ų | 129 | 125.1 Ų | 125.1 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | cis | -149.6 | 124.5 | 31 | 176.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 756 | S | 30.9 | Very low | 31.8 | Very low | 102 Ų | 102 | 125.2 Ų | 125.2 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | 68.5 | 126.7 | 77.8 | -159.1 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 757 | S | 32.9 | Very low | 32 | Very low | 122 Ų | 122 | 126.9 Ų | 126.9 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -174.3 | 139.9 | 146.9 | -82.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 758 | T | 27.6 | Very low | 32.3 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 77% | 0.767 | 78% | 0.777 | S | S | * | * | trans | -152.1 | 152 | -173 | -42.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 759 | V | 31.4 | Very low | 32.5 | Very low | 143 Ų | 143 | 125.5 Ų | 125.5 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | trans | -171.3 | 157.1 | 143.8 | 133.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 760 | T | 28.9 | Very low | 32.4 | Very low | 122 Ų | 122 | 131 Ų | 131 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -128.5 | 150.2 | -169.7 | 54.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 761 | V | 33.4 | Very low | 32.5 | Very low | 146 Ų | 146 | 130.9 Ų | 130.9 | 89% | 0.885 | 77% | 0.774 | S | S | * | * | trans | -140.3 | 157 | 155.8 | -175 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 762 | K | 29.3 | Very low | 32.4 | Very low | 212 Ų | 212 | 135 Ų | 135 | 92% | 0.922 | 78% | 0.782 | S | S | * | * | trans | -101 | 163.8 | -173.2 | -57.6 | 170.6 | 178.6 | 173.8 | 0 | 113.1 | ||||
| 763 | G | 30.5 | Very low | 32.4 | Very low | 72 Ų | 72 | 131.3 Ų | 131.3 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | -176.2 | 84.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 764 | Q | 32.6 | Very low | 32.4 | Very low | 204 Ų | 204 | 135.7 Ų | 135.7 | 95% | 0.953 | 78% | 0.778 | S | S | * | * | trans | 53.3 | 168.1 | 145.9 | -69.7 | 174.2 | -18 | 0 | 0 | 122.7 | ||||
| 765 | S | 28.4 | Very low | 32.1 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -147.9 | 172.1 | 176.3 | 77.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 766 | P | 42.5 | Very low | 31.6 | Very low | 100 Ų | 100 | 136.9 Ų | 136.9 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | -151.6 | -170.9 | 56.7 | 42.7 | -21.4 | 0 | 0 | 0 | 116.6 | |||||
| 767 | D | 32.8 | Very low | 31.9 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | trans | 65.2 | 145.2 | 148.8 | -70.7 | -33 | 0 | 0 | 0 | 121.8 | ||||
| 768 | T | 35.7 | Very low | 32 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 68% | 0.681 | 78% | 0.776 | S | S | * | * | cis | -145.2 | 160.3 | -0.5 | 25.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 769 | N | 33.5 | Very low | 31.8 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | 67 | 91.9 | 147 | -76.4 | -40 | 0 | 0 | 0 | 123.6 | ||||
| 770 | R | 30.8 | Very low | 31.3 | Very low | 230 Ų | 230 | 135.9 Ų | 135.9 | 87% | 0.868 | 77% | 0.771 | S | S | * | * | 80.1 | 150.3 | 112.5 | -84 | -160.9 | 168.9 | -157.3 | -0.3 | 120.9 | |||||
| 771 | P | 36.4 | Very low | 31.3 | Very low | 97 Ų | 97 | 139.6 Ų | 139.6 | 63% | 0.63 | 78% | 0.779 | S | S | * | * | -148.1 | -168.6 | -121.8 | 42.4 | -20.5 | 0 | 0 | 0 | 117.2 | |||||
| 772 | K | 32 | Very low | 30.8 | Very low | 194 Ų | 194 | 140 Ų | 140 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | 78.1 | 142.2 | 160.2 | -66.1 | 172.3 | -176.8 | -174.4 | 0 | 116.8 | ||||
| 773 | S | 32.7 | Very low | 30.7 | Very low | 92 Ų | 92 | 136.9 Ų | 136.9 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | cis | -165.4 | 133.2 | -12.5 | 45.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 774 | I | 31.3 | Very low | 30.3 | Very low | 151 Ų | 151 | 141.7 Ų | 141.7 | 77% | 0.774 | 78% | 0.78 | S | S | * | * | 42.3 | 110 | 126.6 | -52.7 | 165.3 | 0 | 0 | 0 | 116.5 | |||||
| 775 | L | 26.5 | Very low | 30 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | 80.4 | 121.1 | 52.2 | -76.8 | 154.2 | 0 | 0 | 0 | 116.9 | |||||
| 776 | S | 22.7 | Very low | 29.7 | Very low | 101 Ų | 101 | 142.6 Ų | 142.6 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | -75.7 | -174.8 | 151.4 | -22.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 777 | P | 37.5 | Very low | 28.9 | Very low | 121 Ų | 121 | 146.2 Ų | 146.2 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | cis | -119.6 | -114.5 | -3 | 29.7 | -3.3 | 0 | 0 | 0 | 108.7 | ||||
| 778 | P | 35.5 | Very low | 28.4 | Very low | 111 Ų | 111 | 145.5 Ų | 145.5 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | cis | -132.5 | 171.3 | -17.3 | 41.3 | -22.8 | 0 | 0 | 0 | 117.9 | ||||
| 779 | V | 22.9 | Very low | 28 | Very low | 131 Ų | 131 | 148.9 Ų | 148.9 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -25.3 | 147.9 | 148.8 | 171.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 780 | C | 22.3 | Very low | 27.5 | Very low | 109 Ų | 109 | 148 Ų | 148 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | cis | -175.6 | 163.3 | -21.1 | -100.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 781 | H | 27.7 | Very low | 27.3 | Very low | 199 Ų | 199 | 142.8 Ų | 142.8 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | trans | -165.5 | 162.1 | 142.4 | -105.2 | -51.4 | 0 | 0 | 0 | 112.9 | ||||
| 782 | N | 24.1 | Very low | 26.9 | Very low | 155 Ų | 155 | 145.7 Ų | 145.7 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | -85.7 | 147.8 | -178.8 | -81.3 | -24.2 | 0 | 0 | 0 | 113.1 | ||||
| 783 | T | 26.2 | Very low | 26.7 | Very low | 147 Ų | 147 | 140.7 Ų | 140.7 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | trans | -157 | 149.5 | 139.2 | -10.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 784 | M | 21.8 | Very low | 26.6 | Very low | 172 Ų | 172 | 146.1 Ų | 146.1 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | trans | -66.5 | 142.7 | 177.2 | -70 | 155.4 | 56.2 | 0 | 0 | 111.9 | ||||
| 785 | K | 26.7 | Very low | 26.4 | Very low | 192 Ų | 192 | 147.2 Ų | 147.2 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | -149.6 | 129.3 | 147.6 | -114.2 | 168.6 | -172.5 | 177.4 | 0 | 111.2 | ||||
| 786 | I | 22.1 | Very low | 26.6 | Very low | 143 Ų | 143 | 143 Ų | 143 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | -76.6 | 145.5 | 171.6 | -62.3 | 162 | 0 | 0 | 0 | 107.6 | ||||
| 787 | F | 26.1 | Very low | 27.1 | Very low | 176 Ų | 176 | 142.4 Ų | 142.4 | 77% | 0.772 | 76% | 0.755 | S | S | * | * | trans | -144.1 | 116.7 | 168 | -98.5 | -77.9 | 0 | 0 | 0 | 110.6 | ||||
| 788 | D | 21.6 | Very low | 26.9 | Very low | 127 Ų | 127 | 142.8 Ų | 142.8 | 68% | 0.679 | 75% | 0.746 | S | S | * | * | trans | -66.9 | 156.4 | 165.9 | -66.9 | -71.8 | 0 | 0 | 0 | 111.7 | ||||
| 789 | F | 27.3 | Very low | 26.7 | Very low | 182 Ų | 182 | 147.4 Ų | 147.4 | 80% | 0.798 | 75% | 0.749 | S | S | * | * | trans | -135.3 | 58.4 | 169.9 | -111.2 | -71.9 | 0 | 0 | 0 | 112.3 | ||||
| 790 | T | 24.3 | Very low | 27.2 | Very low | 113 Ų | 113 | 151 Ų | 151 | 69% | 0.693 | 75% | 0.749 | S | S | * | * | trans | -81.9 | 137.6 | 167.6 | 49.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 791 | S | 25.8 | Very low | 27.9 | Very low | 120 Ų | 120 | 148.7 Ų | 148.7 | 84% | 0.839 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 67.7 | 33.8 | 156.6 | 69 | 0 | 0 | 0 | 0 | 121.6 | ||
| 792 | E | 27 | Very low | 28.3 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 74% | 0.743 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -129 | -11.8 | 165.1 | -134.5 | 172.8 | -148.3 | 0 | 0 | 116.9 | R794 | E792-R794 PolarHBondContact O-N 2.92Š|
| 793 | S | 29.6 | Very low | 29.1 | Very low | 88 Ų | 88 | 140.9 Ų | 140.9 | 62% | 0.615 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -77.1 | -15 | -175.7 | 56.1 | 0 | 0 | 0 | 0 | 116.3 | S796 T797 | S793-S796 PolarHBondContact O-OG 2.9Å; S793-T797 PolarHBondContact O-OG1 2.69Å |
| 794 | R | 29.3 | Very low | 29.7 | Very low | 207 Ų | 207 | 138.8 Ų | 138.8 | 78% | 0.781 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -80 | -29 | -172.9 | -75.4 | -176.1 | 173.2 | 162.5 | -1.2 | 115.2 | E792 T797 | E792-R794 PolarHBondContact O-N 2.92Å; R794-T797 PolarHBondContact O-OG1 2.88Å |
| 795 | K | 28.5 | Very low | 30.5 | Very low | 173 Ų | 173 | 134.7 Ų | 134.7 | 75% | 0.752 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -83.3 | -14 | -176.8 | -71.8 | -177.5 | 176.7 | 176.3 | 0 | 114.5 | ||
| 796 | S | 29.9 | Very low | 31.3 | Very low | 78 Ų | 78 | 132.3 Ų | 132.3 | 55% | 0.545 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -93.8 | -14.1 | 177.1 | 57.1 | 0 | 0 | 0 | 0 | 113.3 | S793 | S793-S796 PolarHBondContact O-OG 2.9Å |
| 797 | T | 33.8 | Very low | 32.5 | Very low | 87 Ų | 87 | 132.8 Ų | 132.8 | 53% | 0.534 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -83.7 | -45 | 174 | 36.3 | 0 | 0 | 0 | 0 | 112.8 | S793 R794 R800 S801 | S793-T797 PolarHBondContact O-OG1 2.69Å; R794-T797 PolarHBondContact O-OG1 2.88Å; T797-R800 WeakPolarHBondContact O-CB 3.36Å; T797-R800 PolarHBondContact O-N 3.44Å; T797-R800 VanDerWaalsContact O-N 3.09Å; T797-S801 PolarHBondContact O-N 3.14Å; T797-S801 VanDerWaalsContact O-N 3.11Å |
| 798 | E | 32.3 | Very low | 33.1 | Very low | 129 Ų | 129 | 129.1 Ų | 129.1 | 60% | 0.603 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -58.9 | -53.2 | -178.4 | -67.5 | 169.6 | 150.3 | 0 | 0 | 111.9 | R800 S801 D802 | E798-R800 PolarHBondContact O-N 3.25Å; E798-S801 WeakPolarHBondContact O-CA 3.4Å; E798-S801 VanDerWaalsContact O-CB 3.23Å; E798-S801 WeakPolarHBondContact O-CB 3.49Å; E798-S801 PolarHBondContact O-N 3.21Å; E798-D802 PolarHBondContact O-N 3.02Å |
| 799 | R | 31.6 | Very low | 34 | Very low | 208 Ų | 208 | 128.7 Ų | 128.7 | 79% | 0.785 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -59.9 | -19.9 | 176.5 | -73.2 | -175.1 | 172.8 | -176.7 | -2 | 114.3 | ||
| 800 | R | 33.4 | Very low | 34.8 | Very low | 206 Ų | 206 | 122.4 Ų | 122.4 | 78% | 0.777 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -87.6 | -20.7 | 176.6 | -148.6 | 171.6 | -168.9 | 156.3 | 1.2 | 111.9 | T797 E798 F804 | T797-R800 WeakPolarHBondContact O-CB 3.36Å; T797-R800 PolarHBondContact O-N 3.44Å; T797-R800 VanDerWaalsContact O-N 3.09Å; E798-R800 PolarHBondContact O-N 3.25Å; R800-F804 VanDerWaalsContact O-CB 3.25Å; R800-F804 WeakPolarHBondContact O-CB 3.46Å |
| 801 | S | 36.6 | Very low | 35.6 | Very low | 61 Ų | 61 | 120 Ų | 120 | 43% | 0.427 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -73.9 | -50.9 | 171.3 | -160.5 | 0 | 0 | 0 | 0 | 111.2 | T797 E798 D803 F804 E805 | T797-S801 PolarHBondContact O-N 3.14Å; T797-S801 VanDerWaalsContact O-N 3.11Å; E798-S801 WeakPolarHBondContact O-CA 3.4Å; E798-S801 VanDerWaalsContact O-CB 3.23Å; E798-S801 WeakPolarHBondContact O-CB 3.49Å; E798-S801 PolarHBondContact O-N 3.21Å; S801-D803 PolarHBondContact O-N 2.87Å; S801-F804 CarbonylContact O-C 3.6Å; S801-F804 WeakPolarHBondContact O-CA 3.25Å; S801-F804 WeakPolarHBondContact O-CB 3.28Å; S801-F804 PolarHBondContact O-N 3.18Å; S801-E805 PolarHBondContact O-N 3.5Å |
| 802 | D | 36.1 | Very low | 36 | Very low | 96 Ų | 96 | 118.1 Ų | 118.1 | 51% | 0.513 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -57.5 | -45.5 | -175.4 | -66.5 | -23.8 | 0 | 0 | 0 | 113.9 | E798 E805 K806 | E798-D802 PolarHBondContact O-N 3.02Å; D802-E805 PolarHBondContact O-N 3.09Å; D802-K806 WeakPolarHBondContact O-CG 3.47Å; D802-K806 PolarHBondContact O-N 2.89Å |
| 803 | D | 40.3 | Very low | 36.7 | Very low | 94 Ų | 94 | 120.5 Ų | 120.5 | 50% | 0.503 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -73.6 | -28.7 | 178.6 | -100.3 | 9.2 | 0 | 0 | 0 | 112.4 | S801 R807 | S801-D803 PolarHBondContact O-N 2.87Å; D803-R807 WeakPolarHBondContact O-CG 3.49Å; D803-R807 PolarHBondContact O-N 3.4Å |
| 804 | F | 39.2 | Very low | 37.2 | Very low | 104 Ų | 104 | 123.6 Ų | 123.6 | 46% | 0.456 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70.8 | -42.9 | 171.7 | 179.2 | -98.6 | 0 | 0 | 0 | 110.9 | R800 S801 R807 Y808 | R800-F804 VanDerWaalsContact O-CB 3.25Å; R800-F804 WeakPolarHBondContact O-CB 3.46Å; S801-F804 CarbonylContact O-C 3.6Å; S801-F804 WeakPolarHBondContact O-CA 3.25Å; S801-F804 WeakPolarHBondContact O-CB 3.28Å; S801-F804 PolarHBondContact O-N 3.18Å; F804-R807 PolarHBondContact O-N 3.26Å; F804-Y808 WeakPolarHBondContact O-CB 3.41Å; F804-Y808 PolarHBondContact O-N 3.32Å |
| 805 | E | 38.9 | Very low | 37.5 | Very low | 86 Ų | 86 | 115.3 Ų | 115.3 | 40% | 0.402 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.4 | -36.1 | 179.8 | -159.6 | -171.7 | 112.3 | 0 | 0 | 112 | S801 D802 Y808 K809 | S801-E805 PolarHBondContact O-N 3.5Å; D802-E805 PolarHBondContact O-N 3.09Å; E805-Y808 PolarHBondContact O-N 3.47Å; E805-K809 HydrophobicContact CG-CD 4.28Å; E805-K809 WeakPolarHBondContact O-CB 3.28Å; E805-K809 WeakPolarHBondContact O-CG 3.38Å; E805-K809 PolarHBondContact O-N 3.02Å; E805-K809 WeakPolarHBondContact OE1-CE 3.39Å; E805-K809 IonicContact OE1-NZ 2.69Å; E805-K809 PolarHBondContact OE1-NZ 3.1Å |
| 806 | K | 44.4 | Very low | 37.9 | Very low | 141 Ų | 141 | 110 Ų | 110 | 61% | 0.613 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.4 | -40.7 | 170.1 | -76.3 | 169.2 | -174.1 | 161.3 | 0 | 112.5 | D802 S810 | D802-K806 WeakPolarHBondContact O-CG 3.47Å; D802-K806 PolarHBondContact O-N 2.89Å; K806-S810 PolarHBondContact O-N 3.09Å; K806-S810 VanDerWaalsContact O-N 3.16Å |
| 807 | R | 47.1 | Very low | 38.2 | Very low | 153 Ų | 153 | 109.3 Ų | 109.3 | 58% | 0.577 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.8 | -42.9 | 173.5 | -71.3 | 179.8 | -168.2 | -165.3 | 5 | 111.7 | D803 F804 K809 S810 E811 | D803-R807 WeakPolarHBondContact O-CG 3.49Å; D803-R807 PolarHBondContact O-N 3.4Å; F804-R807 PolarHBondContact O-N 3.26Å; R807-K809 VanDerWaalsContact C-N 3.35Å; R807-K809 PolarHBondContact O-N 2.88Å; R807-S810 CarbonylContact O-C 3.58Å; R807-S810 WeakPolarHBondContact O-CA 3.29Å; R807-S810 WeakPolarHBondContact O-CB 3.04Å; R807-S810 PolarHBondContact O-N 3.17Å; R807-E811 PolarHBondContact O-N 3.19Å |
| 808 | Y | 37.3 | Very low | 38.4 | Very low | 99 Ų | 99 | 107.3 Ų | 107.3 | 39% | 0.388 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 175.6 | 178.3 | -111.7 | 0 | 0 | 0 | 111.6 | F804 E805 S810 E811 L812 | F804-Y808 WeakPolarHBondContact O-CB 3.41Å; F804-Y808 PolarHBondContact O-N 3.32Å; E805-Y808 PolarHBondContact O-N 3.47Å; Y808-S810 PolarHBondContact O-N 3.21Å; Y808-E811 PolarHBondContact O-N 2.71Å; Y808-L812 HydrophobicContact CE1-CD2 4.28Å; Y808-L812 WeakPolarHBondContact O-CB 3.3Å; Y808-L812 PolarHBondContact O-N 2.71Å |
| 809 | K | 41.5 | Very low | 38.5 | Very low | 118 Ų | 118 | 103.8 Ų | 103.8 | 51% | 0.513 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.8 | -17.3 | 173.6 | -73.2 | 172.6 | 171 | 172 | 0 | 113.6 | E805 R807 R813 | E805-K809 HydrophobicContact CG-CD 4.28Å; E805-K809 WeakPolarHBondContact O-CB 3.28Å; E805-K809 WeakPolarHBondContact O-CG 3.38Å; E805-K809 PolarHBondContact O-N 3.02Å; E805-K809 WeakPolarHBondContact OE1-CE 3.39Å; E805-K809 IonicContact OE1-NZ 2.69Å; E805-K809 PolarHBondContact OE1-NZ 3.1Å; R807-K809 VanDerWaalsContact C-N 3.35Å; R807-K809 PolarHBondContact O-N 2.88Å; K809-R813 WeakPolarHBondContact O-CD 3.19Å; K809-R813 WeakPolarHBondContact O-CG 3.48Å |
| 810 | S | 43.9 | Very low | 39 | Very low | 51 Ų | 51 | 102.7 Ų | 102.7 | 36% | 0.357 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -77.8 | -55.6 | 167.8 | 152.6 | 0 | 0 | 0 | 0 | 111.4 | K806 R807 Y808 L812 R813 R814 | K806-S810 PolarHBondContact O-N 3.09Å; K806-S810 VanDerWaalsContact O-N 3.16Å; R807-S810 CarbonylContact O-C 3.58Å; R807-S810 WeakPolarHBondContact O-CA 3.29Å; R807-S810 WeakPolarHBondContact O-CB 3.04Å; R807-S810 PolarHBondContact O-N 3.17Å; Y808-S810 PolarHBondContact O-N 3.21Å; S810-L812 PolarHBondContact O-N 3.01Å; S810-R813 WeakPolarHBondContact O-CB 3.49Å; S810-R813 PolarHBondContact O-N 2.92Å; S810-R813 VanDerWaalsContact O-N 3.09Å; S810-R814 PolarHBondContact O-N 3.36Å |
| 811 | E | 40.6 | Very low | 39.2 | Very low | 63 Ų | 63 | 101.5 Ų | 101.5 | 29% | 0.294 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.7 | -34.5 | -177.7 | -93.4 | 34.2 | -112.5 | 0 | 0 | 112.2 | R807 Y808 R813 R814 N815 | R807-E811 PolarHBondContact O-N 3.19Å; Y808-E811 PolarHBondContact O-N 2.71Å; E811-R813 PolarHBondContact O-N 3.37Å; E811-R814 CarbonylContact O-C 3.49Å; E811-R814 WeakPolarHBondContact O-CA 3.38Å; E811-R814 WeakPolarHBondContact O-CB 3.49Å; E811-R814 PolarHBondContact O-N 3.48Å; E811-R814 IonicContact OE1-CZ 3.39Å; E811-R814 IonicContact OE1-NE 3.38Å; E811-R814 IonicContact OE1-NH1 3.41Å; E811-R814 PolarHBondContact OE1-NH1 3.39Å; E811-R814 IonicContact OE2-NH1 3.18Å; E811-N815 PolarHBondContact O-N 3.41Å |
| 812 | L | 34.8 | Very low | 39.3 | Very low | 79 Ų | 79 | 100.7 Ų | 100.7 | 41% | 0.414 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.3 | -30.1 | 172.8 | -166.9 | 69.3 | 0 | 0 | 0 | 112.1 | Y808 S810 T816 | Y808-L812 HydrophobicContact CE1-CD2 4.28Å; Y808-L812 WeakPolarHBondContact O-CB 3.3Å; Y808-L812 PolarHBondContact O-N 2.71Å; S810-L812 PolarHBondContact O-N 3.01Å; L812-T816 WeakPolarHBondContact O-CB 3.2Å; L812-T816 WeakPolarHBondContact O-CG2 3.33Å; L812-T816 PolarHBondContact O-N 3.26Å; L812-T816 PolarHBondContact O-OG1 3.34Å |
| 813 | R | 41 | Very low | 39.3 | Very low | 209 Ų | 209 | 99.1 Ų | 99.1 | 79% | 0.789 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -74.2 | -24.8 | 171.7 | -73.2 | 175 | 175.5 | -169.9 | -0.8 | 113.2 | K809 S810 E811 T816 | K809-R813 WeakPolarHBondContact O-CD 3.19Å; K809-R813 WeakPolarHBondContact O-CG 3.48Å; S810-R813 WeakPolarHBondContact O-CB 3.49Å; S810-R813 PolarHBondContact O-N 2.92Å; S810-R813 VanDerWaalsContact O-N 3.09Å; E811-R813 PolarHBondContact O-N 3.37Å; R813-T816 WeakPolarHBondContact CA-OG1 3.46Å; R813-T816 PolarHBondContact O-OG1 3.47Å |
| 814 | R | 41.3 | Very low | 39 | Very low | 154 Ų | 154 | 95.2 Ų | 95.2 | 58% | 0.581 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -74 | -50.7 | 165.9 | -73.1 | -172.1 | 169.2 | 97.8 | 7.6 | 110.9 | S810 E811 T816 S817 | S810-R814 PolarHBondContact O-N 3.36Å; E811-R814 CarbonylContact O-C 3.49Å; E811-R814 WeakPolarHBondContact O-CA 3.38Å; E811-R814 WeakPolarHBondContact O-CB 3.49Å; E811-R814 PolarHBondContact O-N 3.48Å; E811-R814 IonicContact OE1-CZ 3.39Å; E811-R814 IonicContact OE1-NE 3.38Å; E811-R814 IonicContact OE1-NH1 3.41Å; E811-R814 PolarHBondContact OE1-NH1 3.39Å; E811-R814 IonicContact OE2-NH1 3.18Å; R814-T816 VanDerWaalsContact C-N 3.34Å; R814-T816 PolarHBondContact O-N 3.16Å; R814-S817 VanDerWaalsContact O-CB 3.29Å; R814-S817 WeakPolarHBondContact O-CB 3.36Å; R814-S817 PolarHBondContact O-N 3.33Å; R814-S817 PolarHBondContact O-OG 3.3Å |
| 815 | N | 35.9 | Very low | 38.9 | Very low | 32 Ų | 32 | 94.6 Ų | 94.6 | 17% | 0.171 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -70.6 | -27.7 | -172.2 | -69 | 5.1 | 0 | 0 | 0 | 112.5 | E811 S817 I818 Y819 | E811-N815 PolarHBondContact O-N 3.41Å; N815-S817 PolarHBondContact O-N 2.86Å; N815-I818 WeakPolarHBondContact O-CA 3.4Å; N815-I818 WeakPolarHBondContact O-CB 3.18Å; N815-I818 PolarHBondContact O-N 3.18Å; N815-Y819 PolarHBondContact O-N 3.14Å |
| 816 | T | 35.7 | Very low | 38.9 | Very low | 61 Ų | 61 | 94.8 Ų | 94.8 | 37% | 0.374 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.5 | -23.1 | 168.4 | 41.4 | 0 | 0 | 0 | 0 | 113.7 | L812 R813 R814 I818 R820 | L812-T816 WeakPolarHBondContact O-CB 3.2Å; L812-T816 WeakPolarHBondContact O-CG2 3.33Å; L812-T816 PolarHBondContact O-N 3.26Å; L812-T816 PolarHBondContact O-OG1 3.34Å; R813-T816 WeakPolarHBondContact CA-OG1 3.46Å; R813-T816 PolarHBondContact O-OG1 3.47Å; R814-T816 VanDerWaalsContact C-N 3.34Å; R814-T816 PolarHBondContact O-N 3.16Å; T816-I818 VanDerWaalsContact C-N 3.34Å; T816-R820 WeakPolarHBondContact O-CG 3.41Å; T816-R820 PolarHBondContact O-N 2.86Å |
| 817 | S | 36.5 | Very low | 38.5 | Very low | 64 Ų | 64 | 90.8 Ų | 90.8 | 45% | 0.448 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -72.4 | -27 | 170.4 | 79.6 | 0 | 0 | 0 | 0 | 113 | R814 N815 | R814-S817 VanDerWaalsContact O-CB 3.29Å; R814-S817 WeakPolarHBondContact O-CB 3.36Å; R814-S817 PolarHBondContact O-N 3.33Å; R814-S817 PolarHBondContact O-OG 3.3Å; N815-S817 PolarHBondContact O-N 2.86Å |
| 818 | I | 38.2 | Very low | 38 | Very low | 46 Ų | 46 | 85.2 Ų | 85.2 | 24% | 0.236 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -75 | -46.6 | 173.4 | -57 | 176.8 | 0 | 0 | 0 | 109.3 | V131 N815 T816 R820 K821 | V131-I818 HydrophobicContact CG2-CG2 3.34Å; N815-I818 WeakPolarHBondContact O-CA 3.4Å; N815-I818 WeakPolarHBondContact O-CB 3.18Å; N815-I818 PolarHBondContact O-N 3.18Å; T816-I818 VanDerWaalsContact C-N 3.34Å; I818-R820 VanDerWaalsContact C-N 3.32Å; I818-R820 PolarHBondContact O-N 3.34Å; I818-K821 WeakPolarHBondContact O-CB 3.45Å; I818-K821 PolarHBondContact O-N 3.07Å |
| 819 | Y | 34.6 | Very low | 37.9 | Very low | 54 Ų | 54 | 85.3 Ų | 85.3 | 21% | 0.212 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -55.7 | -43.5 | 174.2 | -89.4 | -76 | 0 | 0 | 0 | 112.7 | E19 L130 N815 K821 T822 M823 | E19-Y819 PolarHBondContact OE1-OH 3.33Å; L130-Y819 HydrophobicContact CD2-CE1 4.42Å; N815-Y819 PolarHBondContact O-N 3.14Å; Y819-K821 PolarHBondContact O-N 3.39Å; Y819-K821 VanDerWaalsContact O-N 3.14Å; Y819-T822 PolarHBondContact O-N 3.35Å; Y819-T822 PolarHBondContact O-OG1 2.91Å; Y819-M823 PolarHBondContact O-N 2.93Å |
| 820 | R | 40.9 | Very low | 37.5 | Very low | 186 Ų | 186 | 84.8 Ų | 84.8 | 70% | 0.702 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -19.7 | 174.7 | -78.5 | 179.6 | -176 | 176.7 | 2.2 | 115.1 | T816 I818 T822 | T816-R820 WeakPolarHBondContact O-CG 3.41Å; T816-R820 PolarHBondContact O-N 2.86Å; I818-R820 VanDerWaalsContact C-N 3.32Å; I818-R820 PolarHBondContact O-N 3.34Å; R820-T822 VanDerWaalsContact C-N 3.35Å |
| 821 | K | 39.5 | Very low | 36.9 | Very low | 180 Ų | 180 | 86.6 Ų | 86.6 | 78% | 0.783 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -10.4 | 175.5 | -69.3 | 178.6 | 178.6 | -178.5 | 0 | 113.6 | I818 Y819 | I818-K821 WeakPolarHBondContact O-CB 3.45Å; I818-K821 PolarHBondContact O-N 3.07Å; Y819-K821 PolarHBondContact O-N 3.39Å; Y819-K821 VanDerWaalsContact O-N 3.14Å |
| 822 | T | 38.5 | Very low | 36.6 | Very low | 45 Ų | 45 | 88 Ų | 88 | 28% | 0.276 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | -10.5 | -171.4 | 60.8 | 0 | 0 | 0 | 0 | 115.3 | R159 Y819 R820 | R159-T822 PolarHBondContact NH1-OG1 3Å; Y819-T822 PolarHBondContact O-N 3.35Å; Y819-T822 PolarHBondContact O-OG1 2.91Å; R820-T822 VanDerWaalsContact C-N 3.35Å |
| 823 | M | 34.5 | Very low | 36.3 | Very low | 62 Ų | 62 | 90.4 Ų | 90.4 | 31% | 0.305 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -96.4 | 145.6 | 172.3 | -76.2 | -175.5 | 162.8 | 0 | 0 | 112.1 | Y819 | Y819-M823 PolarHBondContact O-N 2.93Š|
| 824 | P | 35.9 | Very low | 35.6 | Very low | 12 Ų | 12 | 87 Ų | 87 | 8% | 0.078 | 45% | 0.454 | C | S | . | . | trans | -66.4 | 147.2 | 168.4 | 30.2 | -34.8 | 0 | 0 | 0 | 110.6 | Q171 S826 L827 | Q171-P824 VanDerWaalsContact OE1-CB 3.24Å; P824-S826 PolarHBondContact O-N 3.47Å; P824-S826 VanDerWaalsContact O-N 3.08Å; P824-L827 HydrophobicContact CG-CD1 4.07Å; P824-L827 PolarHBondContact O-N 2.97Å | ||
| 825 | P | 37 | Very low | 34.9 | Very low | 92 Ų | 92 | 84.7 Ų | 84.7 | 60% | 0.597 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -26.5 | -172.6 | -27.1 | 35.9 | 0 | 0 | 0 | 115.4 | L827 | P825-L827 VanDerWaalsContact C-N 3.33Å; P825-L827 PolarHBondContact O-N 2.95Å |
| 826 | S | 37.4 | Very low | 34.4 | Very low | 90 Ų | 90 | 89.9 Ų | 89.9 | 63% | 0.629 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -32.8 | -179.4 | 46.8 | 0 | 0 | 0 | 0 | 114.1 | P824 | P824-S826 PolarHBondContact O-N 3.47Å; P824-S826 VanDerWaalsContact O-N 3.08Å |
| 827 | L | 36.1 | Very low | 33.9 | Very low | 57 Ų | 57 | 94.5 Ų | 94.5 | 30% | 0.298 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -22.3 | -176.4 | -88.6 | 158.3 | 0 | 0 | 0 | 113.7 | P824 P825 T829 Q830 | P824-L827 HydrophobicContact CG-CD1 4.07Å; P824-L827 PolarHBondContact O-N 2.97Å; P825-L827 VanDerWaalsContact C-N 3.33Å; P825-L827 PolarHBondContact O-N 2.95Å; L827-T829 PolarHBondContact O-N 3.32Å; L827-T829 VanDerWaalsContact O-N 3.16Å; L827-Q830 PolarHBondContact O-N 3.49Å |
| 828 | A | 37.8 | Very low | 33.5 | Very low | 36 Ų | 36 | 100.4 Ų | 100.4 | 30% | 0.298 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.9 | -25.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | I832 | A828-I832 WeakPolarHBondContact O-CD1 3.38Å; A828-I832 WeakPolarHBondContact O-CG1 3.33Å |
| 829 | T | 34.1 | Very low | 33.2 | Very low | 100 Ų | 100 | 105.6 Ų | 105.6 | 61% | 0.613 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -79.7 | -30.4 | -176.7 | -48.7 | 0 | 0 | 0 | 0 | 113.2 | L827 | L827-T829 PolarHBondContact O-N 3.32Å; L827-T829 VanDerWaalsContact O-N 3.16Å |
| 830 | Q | 33.3 | Very low | 32.7 | Very low | 107 Ų | 107 | 111 Ų | 111 | 50% | 0.5 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -80.3 | -35.9 | -174.2 | -71.7 | -179.2 | -19.1 | 0 | 0 | 113 | L827 I832 | L827-Q830 PolarHBondContact O-N 3.49Å; Q830-I832 VanDerWaalsContact C-N 3.34Å; Q830-I832 PolarHBondContact O-N 2.9Å |
| 831 | V | 32 | Very low | 32 | Very low | 90 Ų | 90 | 109.7 Ų | 109.7 | 55% | 0.545 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69.7 | -29.9 | -177.5 | -177.3 | 0 | 0 | 0 | 0 | 112.4 | N833 L834 | V831-N833 VanDerWaalsContact C-N 3.35Å; V831-N833 PolarHBondContact O-N 3.38Å; V831-L834 PolarHBondContact O-N 2.71Å |
| 832 | I | 33.2 | Very low | 31.5 | Very low | 93 Ų | 93 | 107 Ų | 107 | 48% | 0.477 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -72.2 | -26.2 | -174.1 | -66.9 | 175.6 | 0 | 0 | 0 | 112.8 | A828 Q830 L834 | A828-I832 WeakPolarHBondContact O-CD1 3.38Å; A828-I832 WeakPolarHBondContact O-CG1 3.33Å; Q830-I832 VanDerWaalsContact C-N 3.34Å; Q830-I832 PolarHBondContact O-N 2.9Å; I832-L834 PolarHBondContact O-N 2.94Å |
| 833 | N | 29 | Very low | 30.9 | Very low | 128 Ų | 128 | 111.4 Ų | 111.4 | 68% | 0.684 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -0.7 | -179.2 | -75.3 | -11 | 0 | 0 | 0 | 114.3 | V831 | V831-N833 VanDerWaalsContact C-N 3.35Å; V831-N833 PolarHBondContact O-N 3.38Å |
| 834 | L | 26.4 | Very low | 30.6 | Very low | 139 Ų | 139 | 115.4 Ų | 115.4 | 73% | 0.728 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | 26.6 | 176 | -67.1 | 172.5 | 0 | 0 | 0 | 112.8 | V831 I832 | V831-L834 PolarHBondContact O-N 2.71Å; I832-L834 PolarHBondContact O-N 2.94Å |
| 835 | S | 26.6 | Very low | 30 | Very low | 105 Ų | 105 | 120.1 Ų | 120.1 | 73% | 0.734 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -144.1 | 19.6 | -179.2 | -58.3 | 0 | 0 | 0 | 0 | 114.6 | ||
| 836 | I | 25.6 | Very low | 29.4 | Very low | 140 Ų | 140 | 121.1 Ų | 121.1 | 72% | 0.718 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -136.8 | 68.3 | 174.6 | -47.1 | 179.7 | 0 | 0 | 0 | 109.8 | ||
| 837 | N | 24.7 | Very low | 28.9 | Very low | 158 Ų | 158 | 124.7 Ų | 124.7 | 85% | 0.845 | 70% | 0.701 | S | S | * | * | trans | -165.8 | 71.1 | 161.4 | -114.7 | -10.5 | 0 | 0 | 0 | 112.3 | ||||
| 838 | E | 28.9 | Very low | 28.3 | Very low | 189 Ų | 189 | 126.6 Ų | 126.6 | 88% | 0.883 | 72% | 0.72 | S | S | * | * | trans | -124.3 | 96.5 | 165 | -71.8 | -164.4 | 144.5 | 0 | 0 | 110.7 | ||||
| 839 | N | 30.8 | Very low | 27.6 | Very low | 154 Ų | 154 | 130.9 Ų | 130.9 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | trans | 38.2 | 87.7 | 150 | -60.9 | -28.3 | 0 | 0 | 0 | 119.3 | N841 | N839-N841 PolarHBondContact O-N 3.36Š| ||
| 840 | N | 25.2 | Very low | 27.1 | Very low | 167 Ų | 167 | 130.3 Ų | 130.3 | 89% | 0.893 | 75% | 0.746 | S | S | * | * | trans | -68.9 | 108.2 | 144.2 | -79 | -39.4 | 0 | 0 | 0 | 109.2 | ||||
| 841 | N | 26.5 | Very low | 26.7 | Very low | 160 Ų | 160 | 133.1 Ų | 133.1 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | trans | -166.9 | 76.2 | 160.4 | -110.3 | -20.1 | 0 | 0 | 0 | 114.7 | N839 | N839-N841 PolarHBondContact O-N 3.36Š| ||
| 842 | S | 29.1 | Very low | 26.5 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | -162.9 | 104.1 | 154.3 | 48 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 843 | T | 24.4 | Very low | 26.2 | Very low | 138 Ų | 138 | 137.4 Ų | 137.4 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | trans | -115.1 | 114.5 | 179.2 | 49.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 844 | T | 28 | Very low | 26.1 | Very low | 146 Ų | 146 | 139 Ų | 139 | 90% | 0.896 | 80% | 0.795 | S | S | * | * | trans | -144.6 | 122.1 | 154.3 | 44.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 845 | S | 24 | Very low | 26 | Very low | 111 Ų | 111 | 137.6 Ų | 137.6 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -79.6 | 180 | 171.8 | 47.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 846 | V | 25 | Very low | 26.1 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | cis | -128.6 | -145.5 | 9 | -140.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 847 | E | 25.8 | Very low | 26.1 | Very low | 164 Ų | 164 | 142.5 Ų | 142.5 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | cis | -156.7 | 105.3 | 1.1 | -138.2 | 141.7 | -103.6 | 0 | 0 | 105.7 | ||||
| 848 | S | 23.6 | Very low | 26.1 | Very low | 98 Ų | 98 | 141.8 Ų | 141.8 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | 76.7 | 105.3 | 80 | 78.1 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 849 | C | 24.3 | Very low | 26 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | 167.5 | 149.1 | 145 | -96.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 850 | S | 23.6 | Very low | 25.6 | Very low | 88 Ų | 88 | 141.3 Ų | 141.3 | 62% | 0.615 | 80% | 0.795 | S | S | * | * | cis | -176.6 | 143.7 | -26.6 | 50.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 851 | L | 24.4 | Very low | 25.8 | Very low | 165 Ų | 165 | 142.5 Ų | 142.5 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | 68 | 154.8 | 162.5 | -66.1 | 161.4 | 0 | 0 | 0 | 117 | ||||
| 852 | S | 27.4 | Very low | 25.7 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | cis | -153.6 | 175.1 | -5.7 | 48 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 853 | H | 25.9 | Very low | 25.8 | Very low | 168 Ų | 168 | 138.9 Ų | 138.9 | 78% | 0.778 | 78% | 0.78 | S | S | * | * | trans | -35.1 | 143.2 | 178.3 | -56.1 | -90.1 | 0 | 0 | 0 | 119.3 | ||||
| 854 | N | 27.8 | Very low | 26.1 | Very low | 162 Ų | 162 | 139.5 Ų | 139.5 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | -166.1 | 162.7 | 100.8 | -114.4 | -39.7 | 0 | 0 | 0 | 115.1 | |||||
| 855 | T | 25.1 | Very low | 26 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | trans | -115.3 | 131.2 | -176.7 | 52.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 856 | H | 27.7 | Very low | 26.2 | Very low | 169 Ų | 169 | 137.1 Ų | 137.1 | 78% | 0.782 | 77% | 0.771 | S | S | * | * | 172.7 | 153.9 | 127.8 | -97.4 | -48.3 | 0 | 0 | 0 | 115.9 | |||||
| 857 | K | 27 | Very low | 26.3 | Very low | 179 Ų | 179 | 143.5 Ų | 143.5 | 78% | 0.778 | 78% | 0.783 | S | S | * | * | trans | 53 | 104.6 | 147.1 | -70.5 | 176.1 | 178.1 | 173.1 | 0 | 119.6 | ||||
| 858 | V | 23.9 | Very low | 26.5 | Very low | 143 Ų | 143 | 143.7 Ų | 143.7 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | 12.7 | 112.8 | 119.1 | -175.9 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 859 | R | 26.3 | Very low | 26.7 | Very low | 218 Ų | 218 | 143.7 Ų | 143.7 | 82% | 0.823 | 79% | 0.794 | S | S | * | * | trans | -151.6 | 118.7 | 145.4 | -114.3 | 174.2 | -173.8 | 176.5 | 1.4 | 110.8 | ||||
| 860 | S | 23.4 | Very low | 26.9 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 130.5 | 163.5 | 49.7 | 0 | 0 | 0 | 0 | 109.5 | ||
| 861 | F | 28.2 | Very low | 27.2 | Very low | 191 Ų | 191 | 147.6 Ų | 147.6 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 127.3 | 169.2 | -99.2 | -86.7 | 0 | 0 | 0 | 111.1 | ||
| 862 | S | 24.7 | Very low | 27.4 | Very low | 92 Ų | 92 | 149 Ų | 149 | 64% | 0.643 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 156.1 | 162.8 | -174.6 | 0 | 0 | 0 | 0 | 109.8 | ||
| 863 | S | 32 | Very low | 27.4 | Very low | 114 Ų | 114 | 152.9 Ų | 152.9 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -127.5 | 102.3 | 156.9 | 64.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 864 | D | 30 | Very low | 27.4 | Very low | 151 Ų | 151 | 151.2 Ų | 151.2 | 81% | 0.807 | 81% | 0.81 | S | S | * | * | trans | -62.4 | 155.1 | 164.3 | -53.7 | -84.2 | 0 | 0 | 0 | 110.3 | ||||
| 865 | G | 26.6 | Very low | 27.9 | Very low | 64 Ų | 64 | 149 Ų | 149 | 66% | 0.66 | 81% | 0.805 | S | S | * | * | cis | 167.2 | 130.7 | -6.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 866 | V | 27.1 | Very low | 28.2 | Very low | 144 Ų | 144 | 149.1 Ų | 149.1 | 87% | 0.873 | 81% | 0.806 | S | S | * | * | trans | -140.6 | 88.7 | 166.2 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 867 | R | 28.7 | Very low | 28.3 | Very low | 247 Ų | 247 | 148.9 Ų | 148.9 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 119.1 | 165.3 | -83.4 | -175.4 | 170.4 | 177.3 | -2.5 | 109 | A869 | R867-A869 PolarHBondContact O-N 3.14Š|
| 868 | L | 28.3 | Very low | 28.5 | Very low | 169 Ų | 169 | 145 Ų | 145 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 124.2 | 161.8 | -78.7 | 163.8 | 0 | 0 | 0 | 108.3 | S870 | L868-S870 PolarHBondContact O-N 2.89Š|
| 869 | A | 28.6 | Very low | 28.7 | Very low | 98 Ų | 98 | 148.8 Ų | 148.8 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 121.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | R867 | R867-A869 PolarHBondContact O-N 3.14Š|
| 870 | S | 29.3 | Very low | 29 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -128.5 | 115.7 | 160.4 | 51 | 0 | 0 | 0 | 0 | 107.7 | L868 | L868-S870 PolarHBondContact O-N 2.89Š| ||
| 871 | H | 29.2 | Very low | 29.3 | Very low | 181 Ų | 181 | 145.6 Ų | 145.6 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -85.8 | 119.1 | 177.9 | -86.7 | -54.2 | 0 | 0 | 0 | 110.3 | ||||
| 872 | Q | 28.8 | Very low | 29.4 | Very low | 194 Ų | 194 | 141 Ų | 141 | 91% | 0.907 | 78% | 0.779 | S | S | * | * | trans | -121.6 | 148.8 | 146.2 | -72.1 | -172.4 | -20.9 | 0 | 0 | 108.4 | ||||
| 873 | K | 27 | Very low | 29.8 | Very low | 187 Ų | 187 | 143.7 Ų | 143.7 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -112.2 | 178.1 | -172.7 | -84.2 | -170.7 | 175.6 | -177.3 | 0 | 110.9 | ||||
| 874 | T | 26.7 | Very low | 29.6 | Very low | 132 Ų | 132 | 143.2 Ų | 143.2 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | 88.5 | 156.3 | 162.5 | 77.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 875 | P | 36.6 | Very low | 29.7 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | cis | -112.4 | -165.6 | -11.6 | 27 | -4.2 | 0 | 0 | 0 | 110.4 | ||||
| 876 | T | 31.5 | Very low | 29.9 | Very low | 111 Ų | 111 | 147.9 Ų | 147.9 | 68% | 0.681 | 79% | 0.794 | S | S | * | * | cis | -154.1 | 150.2 | 20.8 | 43.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 877 | L | 31.4 | Very low | 30.1 | Very low | 163 Ų | 163 | 149.1 Ų | 149.1 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | 61.1 | 143.1 | 146.7 | -63.6 | 164.2 | 0 | 0 | 0 | 119.7 | ||||
| 878 | S | 29.5 | Very low | 30.2 | Very low | 97 Ų | 97 | 141.4 Ų | 141.4 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | cis | -168.7 | 167.4 | -8.3 | 55.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 879 | R | 29.6 | Very low | 30.4 | Very low | 224 Ų | 224 | 141 Ų | 141 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | trans | 97.6 | 133 | 154.3 | -93.7 | -163.7 | 150.1 | 131.8 | -1.3 | 121.6 | ||||
| 880 | N | 31.6 | Very low | 30.6 | Very low | 105 Ų | 105 | 143.8 Ų | 143.8 | 56% | 0.561 | 77% | 0.766 | S | S | * | * | trans | 63.5 | 146 | 155 | -60 | 37 | 0 | 0 | 0 | 117.8 | ||||
| 881 | E | 30.4 | Very low | 30.8 | Very low | 161 Ų | 161 | 143 Ų | 143 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | cis | -175.6 | 164.8 | -18.3 | -107.2 | 145.5 | -156.4 | 0 | 0 | 106.5 | ||||
| 882 | S | 30.3 | Very low | 31 | Very low | 94 Ų | 94 | 138.9 Ų | 138.9 | 66% | 0.657 | 75% | 0.751 | S | S | * | * | cis | -163.1 | -164.7 | -7.5 | 55.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 883 | I | 31.9 | Very low | 31.1 | Very low | 150 Ų | 150 | 136.6 Ų | 136.6 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | 68.6 | 115.4 | 172.4 | -53 | 168 | 0 | 0 | 0 | 114.9 | ||||
| 884 | S | 28.2 | Very low | 31.4 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | cis | 103.7 | 110.6 | 15.1 | 84.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 885 | Q | 32.6 | Very low | 31.6 | Very low | 204 Ų | 204 | 134.8 Ų | 134.8 | 95% | 0.953 | 74% | 0.742 | S | S | * | * | trans | -150.5 | 169.9 | 152.6 | -113.3 | 177.6 | 10 | 0 | 0 | 110.1 | ||||
| 886 | S | 31 | Very low | 31.3 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | trans | -125.5 | 162.8 | -149 | 53.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 887 | M | 31.8 | Very low | 31.2 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 84% | 0.837 | 75% | 0.749 | S | S | * | * | -174.1 | 152.2 | 114.4 | -95.9 | -172.4 | 80.5 | 0 | 0 | 114.3 | |||||
| 888 | S | 30.8 | Very low | 31.1 | Very low | 86 Ų | 86 | 138.7 Ų | 138.7 | 60% | 0.601 | 75% | 0.747 | S | S | * | * | trans | -43.4 | 158.7 | 174.3 | 52.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 889 | Q | 32.4 | Very low | 31.6 | Very low | 160 Ų | 160 | 138.7 Ų | 138.7 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | -168.2 | 157.9 | 66.7 | -85.2 | -171.7 | -6.5 | 0 | 0 | 116 | |||||
| 890 | H | 32.9 | Very low | 31.6 | Very low | 157 Ų | 157 | 135 Ų | 135 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | 45.8 | 117.9 | 147.2 | -70.5 | -65.5 | 0 | 0 | 0 | 121.5 | ||||
| 891 | S | 32.4 | Very low | 31.6 | Very low | 97 Ų | 97 | 135 Ų | 135 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | 81.6 | 139.2 | 61.7 | 76.3 | 0 | 0 | 0 | 0 | 115 | |||||
| 892 | S | 33.4 | Very low | 32 | Very low | 95 Ų | 95 | 132.9 Ų | 132.9 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | cis | -174.1 | 169.9 | -1 | 44 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 893 | N | 30.8 | Very low | 31.9 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | trans | 86.7 | 146.6 | 147 | -69 | -15.2 | 0 | 0 | 0 | 125.1 | ||||
| 894 | Q | 33.5 | Very low | 31.8 | Very low | 178 Ų | 178 | 138.9 Ų | 138.9 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | 83.8 | 109.2 | 167.2 | -48.2 | -164.1 | 7.9 | 0 | 0 | 117.1 | ||||
| 895 | S | 30.5 | Very low | 31.6 | Very low | 102 Ų | 102 | 140.6 Ų | 140.6 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | 76.4 | 129.9 | 51.8 | 78.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 896 | I | 31.5 | Very low | 31.5 | Very low | 145 Ų | 145 | 138 Ų | 138 | 74% | 0.744 | 76% | 0.755 | S | S | * | * | -164.8 | 140.4 | 69 | -89.9 | 177 | 0 | 0 | 0 | 113.9 | |||||
| 897 | K | 29.3 | Very low | 31.3 | Very low | 195 Ų | 195 | 140.2 Ų | 140.2 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | trans | 48.1 | 125.1 | 150.2 | -66.5 | 174.4 | -175.9 | 176.8 | 0 | 125.1 | ||||
| 898 | V | 29.2 | Very low | 31.3 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | trans | -91.1 | 173.8 | 138.4 | -117.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 899 | P | 39.9 | Very low | 31 | Very low | 96 Ų | 96 | 142 Ų | 142 | 62% | 0.623 | 76% | 0.762 | S | S | * | * | cis | -159.5 | -161.9 | 49.2 | 44.2 | -19.7 | 0 | 0 | 0 | 118.6 | ||||
| 900 | N | 30.1 | Very low | 30.9 | Very low | 148 Ų | 148 | 142 Ų | 142 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | trans | 76.3 | 154.6 | 146.4 | -74.4 | -2.2 | 0 | 0 | 0 | 121.8 | ||||
| 901 | S | 30 | Very low | 30.5 | Very low | 105 Ų | 105 | 141.7 Ų | 141.7 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | cis | -165 | 169.6 | -13.8 | 48 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 902 | P | 40.7 | Very low | 30.4 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | -115.9 | -170.6 | -162.3 | 41.6 | -31.7 | 0 | 0 | 0 | 117.4 | ||||
| 903 | T | 26.5 | Very low | 30.2 | Very low | 124 Ų | 124 | 144 Ų | 144 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | trans | 90.2 | 110.3 | 157 | -7.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 904 | R | 29.5 | Very low | 30 | Very low | 246 Ų | 246 | 143.4 Ų | 143.4 | 93% | 0.928 | 77% | 0.767 | S | S | * | * | -168 | 157.8 | 123.4 | -113.4 | 174.8 | 177.9 | 160.4 | 0 | 114.7 | |||||
| 905 | N | 25.4 | Very low | 29.9 | Very low | 139 Ų | 139 | 140.8 Ų | 140.8 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | -70.4 | 161.1 | -174 | -40.9 | -23.7 | 0 | 0 | 0 | 113.9 | ||||
| 906 | I | 30.2 | Very low | 29.7 | Very low | 150 Ų | 150 | 142.3 Ų | 142.3 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | 174.2 | 130.3 | 116.5 | -93.2 | 161.6 | 0 | 0 | 0 | 110.9 | |||||
| 907 | L | 27.2 | Very low | 29.7 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | trans | 34 | 158.6 | 155 | -79.3 | 71.3 | 0 | 0 | 0 | 121.1 | ||||
| 908 | I | 30.6 | Very low | 29.5 | Very low | 137 Ų | 137 | 137 Ų | 137 | 70% | 0.703 | 76% | 0.758 | S | S | * | * | cis | -128.6 | 142.5 | 11.1 | -57.9 | 166.5 | 0 | 0 | 0 | 109.3 | ||||
| 909 | N | 24.2 | Very low | 29.6 | Very low | 156 Ų | 156 | 137.7 Ų | 137.7 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | trans | -142 | 129.5 | 149.7 | -167.8 | 7.7 | 0 | 0 | 0 | 107.6 | ||||
| 910 | H | 31.1 | Very low | 28.9 | Very low | 161 Ų | 161 | 144 Ų | 144 | 75% | 0.745 | 77% | 0.767 | S | S | * | * | trans | -124.4 | 128.7 | -179.3 | -104.9 | -71.4 | 0 | 0 | 0 | 110 | ||||
| 911 | N | 25.2 | Very low | 29 | Very low | 150 Ų | 150 | 145.5 Ų | 145.5 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | trans | -145 | 119.1 | -179 | -172.9 | 17.5 | 0 | 0 | 0 | 108.2 | ||||
| 912 | S | 30.5 | Very low | 29.1 | Very low | 98 Ų | 98 | 147.7 Ų | 147.7 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | trans | -160.8 | 108.9 | -179.6 | -69.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 913 | N | 27.9 | Very low | 28.5 | Very low | 143 Ų | 143 | 147.5 Ų | 147.5 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | trans | 43.3 | 139.8 | 134.1 | -57.2 | -2.8 | 0 | 0 | 0 | 121.8 | ||||
| 914 | N | 27.9 | Very low | 28.6 | Very low | 135 Ų | 135 | 145.8 Ų | 145.8 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | 72.2 | 154.7 | 151.4 | -72.7 | 34 | 0 | 0 | 0 | 117.3 | ||||
| 915 | D | 29.9 | Very low | 28.5 | Very low | 123 Ų | 123 | 139 Ų | 139 | 66% | 0.658 | 75% | 0.75 | S | S | * | * | cis | -140.3 | 172.3 | 8.3 | -131.5 | -49.5 | 0 | 0 | 0 | 114.9 | ||||
| 916 | N | 27.5 | Very low | 28.7 | Very low | 134 Ų | 134 | 138.8 Ų | 138.8 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | trans | -44.1 | 171.5 | -175.7 | -82.6 | -82 | 0 | 0 | 0 | 121.2 | ||||
| 917 | S | 31.6 | Very low | 28.7 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | trans | 92.5 | 152.8 | 148 | 84.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 918 | C | 25.4 | Very low | 28.8 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 78% | 0.784 | 75% | 0.749 | S | S | * | * | cis | -171.9 | -176.5 | -44.7 | -115.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 919 | I | 31 | Very low | 28.9 | Very low | 149 Ų | 149 | 137.8 Ų | 137.8 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | trans | 72.8 | 106.7 | 167.3 | -45.5 | -176.3 | 0 | 0 | 0 | 113.9 | ||||
| 920 | R | 25.1 | Very low | 29.1 | Very low | 229 Ų | 229 | 138.2 Ų | 138.2 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | cis | 87.1 | 154.3 | 43.1 | -163.8 | -175.7 | -164.2 | -179.4 | 7.2 | 112.6 | ||||
| 921 | K | 31.2 | Very low | 28.7 | Very low | 180 Ų | 180 | 140.9 Ų | 140.9 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | 84.9 | 146.4 | -179.7 | -47.3 | -162.2 | -178.4 | 178.5 | 0 | 115.1 | ||||
| 922 | H | 31.8 | Very low | 28.7 | Very low | 151 Ų | 151 | 142.2 Ų | 142.2 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | cis | -159 | 136.6 | -28.9 | -122.3 | -81.4 | 0 | 0 | 0 | 111.8 | ||||
| 923 | T | 29.2 | Very low | 28.5 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | trans | 27.6 | 122.9 | 144.3 | 52.9 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 924 | A | 28.3 | Very low | 28.4 | Very low | 87 Ų | 87 | 140.5 Ų | 140.5 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | 75 | 141.2 | 127.1 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 925 | S | 27.5 | Very low | 28.5 | Very low | 105 Ų | 105 | 139.6 Ų | 139.6 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | 61.3 | 142.1 | 164.4 | 3.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 926 | D | 30 | Very low | 28.6 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | cis | -151.6 | 159.3 | 12 | -113.1 | -34.6 | 0 | 0 | 0 | 114.6 | ||||
| 927 | F | 30.3 | Very low | 28.6 | Very low | 186 Ų | 186 | 141 Ų | 141 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | trans | 47.4 | 141.6 | 157.2 | -84.2 | -93.9 | 0 | 0 | 0 | 124.6 | ||||
| 928 | S | 28.9 | Very low | 28.5 | Very low | 107 Ų | 107 | 147.9 Ų | 147.9 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | 79 | 82.3 | 151.3 | 72.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 929 | S | 31.8 | Very low | 28.6 | Very low | 127 Ų | 127 | 147.4 Ų | 147.4 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | 178.3 | 146.7 | 106.3 | 46.6 | 0 | 0 | 0 | 0 | 111 | |||||
| 930 | N | 28.3 | Very low | 28.6 | Very low | 165 Ų | 165 | 148.4 Ų | 148.4 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | trans | -115.8 | 109.7 | -160.2 | -147 | -4 | 0 | 0 | 0 | 112.9 | ||||
| 931 | R | 24.3 | Very low | 28.8 | Very low | 216 Ų | 216 | 143.4 Ų | 143.4 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | trans | -154.4 | 119.7 | 159.9 | -92.1 | -162.7 | 179.9 | -166.3 | 1.4 | 111.8 | ||||
| 932 | Q | 25 | Very low | 28.7 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | 65 | 151.7 | 153.3 | -65.3 | 172.4 | -49.6 | 0 | 0 | 117.4 | ||||
| 933 | A | 26.6 | Very low | 28.6 | Very low | 83 Ų | 83 | 142.4 Ų | 142.4 | 69% | 0.686 | 78% | 0.784 | S | S | * | * | cis | -167.7 | 173.5 | -22 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 934 | S | 24.7 | Very low | 28.6 | Very low | 123 Ų | 123 | 145.5 Ų | 145.5 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | 89.9 | 125.7 | 147.4 | 82 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 935 | S | 30 | Very low | 28.9 | Very low | 116 Ų | 116 | 147.8 Ų | 147.8 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -161.7 | 142.9 | 142 | 58.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 936 | S | 31.1 | Very low | 29.2 | Very low | 104 Ų | 104 | 149.4 Ų | 149.4 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | cis | -164.4 | 132.1 | -19.2 | 49.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 937 | K | 28.6 | Very low | 29.6 | Very low | 183 Ų | 183 | 145.6 Ų | 145.6 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | trans | 40 | 129.4 | 146 | -60.6 | 179.2 | 178.7 | 177.2 | 0 | 121 | ||||
| 938 | R | 29.2 | Very low | 30.7 | Very low | 254 Ų | 254 | 144.7 Ų | 144.7 | 96% | 0.958 | 79% | 0.793 | S | S | * | * | -134.6 | 144.4 | 111.4 | -103.5 | -177.7 | 179.5 | 179.9 | 0.1 | 109.5 | |||||
| 939 | N | 28.1 | Very low | 32.4 | Very low | 106 Ų | 106 | 144.7 Ų | 144.7 | 57% | 0.567 | 79% | 0.788 | S | S | * | * | trans | -93.6 | 155.6 | -170.2 | -61.2 | 15.1 | 0 | 0 | 0 | 112 | ||||
| 940 | N | 31 | Very low | 34.9 | Very low | 171 Ų | 171 | 140 Ų | 140 | 91% | 0.914 | 75% | 0.753 | S | S | * | * | -131 | 154.6 | 121.9 | -101.7 | -17.8 | 0 | 0 | 0 | 107.6 | |||||
| 941 | N | 29.6 | Very low | 37.6 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 66% | 0.663 | 73% | 0.733 | S | S | * | * | trans | -89.7 | 138.7 | -171.7 | -52.5 | -25.8 | 0 | 0 | 0 | 110.6 | ||||
| 942 | D | 29.3 | Very low | 40.6 | Very low | 154 Ų | 154 | 125.2 Ų | 125.2 | 82% | 0.824 | 69% | 0.694 | S | S | * | * | 173.6 | 84.5 | 112.9 | -86 | -9.8 | 0 | 0 | 0 | 109.2 | |||||
| 943 | D | 29.2 | Very low | 43.4 | Very low | 155 Ų | 155 | 121.5 Ų | 121.5 | 83% | 0.829 | 68% | 0.675 | S | S | * | * | trans | -147.9 | 89.9 | 172 | -124 | -27.5 | 0 | 0 | 0 | 109.1 | ||||
| 944 | N | 29.3 | Very low | 46.1 | Very low | 177 Ų | 177 | 119.7 Ų | 119.7 | 95% | 0.947 | 66% | 0.657 | S | S | * | * | trans | -129.1 | 48.9 | 175.4 | -135 | 12.8 | 0 | 0 | 0 | 109.8 | ||||
| 945 | N | 33.9 | Very low | 49.2 | Very low | 135 Ų | 135 | 114 Ų | 114 | 72% | 0.722 | 62% | 0.618 | S | S | * | * | trans | -134.6 | 100.8 | 168.5 | -162.7 | 3 | 0 | 0 | 0 | 108.3 | G947 | N945-G947 PolarHBondContact O-N 3.18Š| ||
| 946 | T | 34.6 | Very low | 51.8 | Low | 140 Ų | 140 | 108.7 Ų | 108.7 | 86% | 0.859 | 58% | 0.581 | S | S | * | * | trans | -70.9 | 79.3 | 175.5 | 47.9 | 0 | 0 | 0 | 0 | 109.2 | H948 | T946-H948 PolarHBondContact O-N 3.43Å; T946-H948 VanDerWaalsContact O-N 3.1Å | ||
| 947 | G | 38.4 | Very low | 54 | Low | 53 Ų | 53 | 106.1 Ų | 106.1 | 55% | 0.546 | 56% | 0.561 | S | S | . | * | trans | -55.8 | 114.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | N945 V949 | N945-G947 PolarHBondContact O-N 3.18Å; G947-V949 PolarHBondContact O-N 3.23Å | ||
| 948 | H | 52.7 | Low | 56.7 | Low | 168 Ų | 168 | 102 Ų | 102 | 78% | 0.778 | 54% | 0.543 | S | S | * | . | trans | -65.5 | 96.8 | 174 | -169.4 | -57.9 | 0 | 0 | 0 | 108.3 | T946 D950 | T946-H948 PolarHBondContact O-N 3.43Å; T946-H948 VanDerWaalsContact O-N 3.1Å; H948-D950 PolarHBondContact O-N 3.29Å | ||
| 949 | V | 65.5 | Low | 59.2 | Low | 106 Ų | 106 | 90 Ų | 90 | 64% | 0.642 | 50% | 0.497 | S | S | * | . | trans | -60.8 | 116.1 | -178.4 | -179.5 | 0 | 0 | 0 | 0 | 108.4 | G947 P951 | G947-V949 PolarHBondContact O-N 3.23Å; V949-P951 WeakPolarHBondContact O-CD 3.33Å | ||
| 950 | D | 83.5 | Confident | 61.7 | Low | 30 Ų | 30 | 87.9 Ų | 87.9 | 16% | 0.16 | 49% | 0.488 | C | S | . | . | trans | -54.2 | 118.3 | 179.6 | 169.9 | -2.9 | 0 | 0 | 0 | 110.8 | H948 V952 F953 S954 Y1061 R1068 | H948-D950 PolarHBondContact O-N 3.29Å; D950-V952 VanDerWaalsContact C-N 3.32Å; D950-V952 PolarHBondContact O-N 3.45Å; D950-V952 WeakPolarHBondContact OD1-CA 3.21Å; D950-V952 WeakPolarHBondContact OD1-CB 3.37Å; D950-V952 PolarHBondContact OD1-N 2.97Å; D950-F953 HydrophobicContact CB-CB 3.74Å; D950-F953 VanDerWaalsContact CG-CB 3.47Å; D950-F953 PolarHBondContact O-N 3.31Å; D950-F953 PolarHBondContact OD1-N 3.09Å; D950-F953 WeakPolarHBondContact OD2-CB 3.4Å; D950-S954 VanDerWaalsContact O-CB 3.32Å; D950-S954 WeakPolarHBondContact O-CB 3.42Å; D950-S954 PolarHBondContact O-N 3.45Å; D950-Y1061 WeakPolarHBondContact OD2-CE2 3.44Å; D950-R1068 VanDerWaalsContact CG-NH1 3.33Å; D950-R1068 IonicContact OD1-CZ 2.7Å; D950-R1068 IonicContact OD1-NH1 3.31Å; D950-R1068 IonicContact OD1-NH2 3.42Å; D950-R1068 PolarHBondContact OD1-NH2 3.37Å; D950-R1068 IonicContact OD2-CZ 3.45Å; D950-R1068 IonicContact OD2-NH1 2.67Å; D950-R1068 PolarHBondContact OD2-NH1 3.28Å; D950-R1068 IonicContact OD2-NH2 3.47Å; D950-R1068 PolarHBondContact OD2-NH2 3.42Å | ||
| 951 | P | 86 | Confident | 64 | Low | 69 Ų | 69 | 85.2 Ų | 85.2 | 45% | 0.448 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.1 | -37 | -179.3 | -25.1 | 35.4 | 0 | 0 | 0 | 113.6 | V949 S954 A955 A995 | V949-P951 WeakPolarHBondContact O-CD 3.33Å; P951-S954 PolarHBondContact O-N 2.79Å; P951-A955 WeakPolarHBondContact O-CB 3.3Å; P951-A955 PolarHBondContact O-N 2.76Å; P951-A995 HydrophobicContact CB-CB 4.26Å |
| 952 | V | 85.7 | Confident | 66.7 | Low | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -74.8 | -41.5 | -178.7 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | D950 A955 T956 L992 A995 I996 E999 Y1061 V1064 | D950-V952 VanDerWaalsContact C-N 3.32Å; D950-V952 PolarHBondContact O-N 3.45Å; D950-V952 WeakPolarHBondContact OD1-CA 3.21Å; D950-V952 WeakPolarHBondContact OD1-CB 3.37Å; D950-V952 PolarHBondContact OD1-N 2.97Å; V952-A955 PolarHBondContact O-N 3.3Å; V952-T956 WeakPolarHBondContact O-CB 3Å; V952-T956 PolarHBondContact O-N 3.18Å; V952-T956 PolarHBondContact O-OG1 2.9Å; V952-L992 HydrophobicContact CG1-CD1 3.71Å; V952-A995 HydrophobicContact CG2-CB 4.06Å; V952-I996 HydrophobicContact CG1-CD1 4.15Å; V952-I996 HydrophobicContact CG1-CG1 3.69Å; V952-I996 HydrophobicContact CG2-CG1 3.97Å; V952-E999 WeakPolarHBondContact CG2-OE2 3.45Å; V952-Y1061 HydrophobicContact CG1-CD2 4.2Å; V952-V1064 HydrophobicContact CG1-CB 4.5Å; V952-V1064 HydrophobicContact CG1-CG1 4.19Å; V952-V1064 HydrophobicContact CG1-CG2 4.49Å |
| 953 | F | 83.7 | Confident | 69.3 | Low | 100 Ų | 100 | 73.4 Ų | 73.4 | 44% | 0.439 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 170.6 | -179 | -111.9 | 0 | 0 | 0 | 111.3 | D950 A955 T956 V957 Y1061 | D950-F953 HydrophobicContact CB-CB 3.74Å; D950-F953 VanDerWaalsContact CG-CB 3.47Å; D950-F953 PolarHBondContact O-N 3.31Å; D950-F953 PolarHBondContact OD1-N 3.09Å; D950-F953 WeakPolarHBondContact OD2-CB 3.4Å; F953-A955 PolarHBondContact O-N 3.04Å; F953-T956 PolarHBondContact O-N 3.38Å; F953-V957 HydrophobicContact CD1-CG2 4.39Å; F953-V957 HydrophobicContact CD2-CG2 4.36Å; F953-V957 HydrophobicContact CE1-CG2 4.04Å; F953-V957 HydrophobicContact CE2-CG2 4Å; F953-V957 HydrophobicContact CZ-CG2 3.83Å; F953-V957 WeakPolarHBondContact O-CG2 3.16Å; F953-V957 PolarHBondContact O-N 2.93Å; F953-Y1061 HydrophobicContact CB-CD2 4.25Å; F953-Y1061 HydrophobicContact CB-CE2 3.64Å; F953-Y1061 HydrophobicContact CD2-CD1 4.33Å; F953-Y1061 HydrophobicContact CD2-CD2 4.49Å; F953-Y1061 AromaticContact CD2-CE1 3.8Å; F953-Y1061 HydrophobicContact CD2-CE1 3.8Å; F953-Y1061 AromaticContact CD2-CE2 3.99Å; F953-Y1061 HydrophobicContact CD2-CE2 3.99Å; F953-Y1061 AromaticContact CD2-CZ 3.63Å; F953-Y1061 HydrophobicContact CE2-CE1 4.4Å; F953-Y1061 HydrophobicContact CG-CE2 4.3Å |
| 954 | S | 84.2 | Confident | 71.6 | Confident | 45 Ų | 45 | 68.4 Ų | 68.4 | 32% | 0.315 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.3 | -45.6 | 178.3 | -169.9 | 0 | 0 | 0 | 0 | 111.9 | D950 P951 V957 K958 | D950-S954 VanDerWaalsContact O-CB 3.32Å; D950-S954 WeakPolarHBondContact O-CB 3.42Å; D950-S954 PolarHBondContact O-N 3.45Å; P951-S954 PolarHBondContact O-N 2.79Å; S954-V957 PolarHBondContact O-N 2.99Å; S954-K958 WeakPolarHBondContact O-CG 3.49Å; S954-K958 PolarHBondContact O-N 3.46Å; S954-K958 VanDerWaalsContact O-N 3.09Å |
| 955 | A | 89.1 | Confident | 74.2 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 3% | 0.033 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P951 V952 F953 V957 K958 V959 L992 A995 | P951-A955 WeakPolarHBondContact O-CB 3.3Å; P951-A955 PolarHBondContact O-N 2.76Å; V952-A955 PolarHBondContact O-N 3.3Å; F953-A955 PolarHBondContact O-N 3.04Å; A955-V957 PolarHBondContact O-N 2.98Å; A955-K958 WeakPolarHBondContact O-CB 3.28Å; A955-K958 PolarHBondContact O-N 3.17Å; A955-V959 PolarHBondContact O-N 3.2Å; A955-L992 HydrophobicContact CB-CB 4.01Å; A955-L992 HydrophobicContact CB-CD1 3.89Å; A955-A995 HydrophobicContact CB-CB 4.24Å |
| 956 | T | 84.9 | Confident | 76.6 | Confident | 4 Ų | 4 | 58.4 Ų | 58.4 | 3% | 0.025 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 176.1 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | V952 F953 K958 V959 V960 L992 A1057 | V952-T956 WeakPolarHBondContact O-CB 3Å; V952-T956 PolarHBondContact O-N 3.18Å; V952-T956 PolarHBondContact O-OG1 2.9Å; F953-T956 PolarHBondContact O-N 3.38Å; T956-K958 VanDerWaalsContact C-N 3.31Å; T956-K958 PolarHBondContact O-N 2.96Å; T956-V959 PolarHBondContact O-N 3.18Å; T956-V959 VanDerWaalsContact O-N 3.14Å; T956-V960 WeakPolarHBondContact O-CG2 3.46Å; T956-V960 PolarHBondContact O-N 3.23Å; T956-V960 VanDerWaalsContact O-N 3.09Å; T956-L992 VanDerWaalsContact OG1-CD1 3.28Å; T956-L992 WeakPolarHBondContact OG1-CD1 3.29Å; T956-A1057 HydrophobicContact CG2-CB 4.35Å |
| 957 | V | 77.8 | Confident | 78.9 | Confident | 51 Ų | 51 | 51.9 Ų | 51.9 | 31% | 0.309 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 174.4 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | F953 S954 A955 V960 Q961 | F953-V957 HydrophobicContact CD1-CG2 4.39Å; F953-V957 HydrophobicContact CD2-CG2 4.36Å; F953-V957 HydrophobicContact CE1-CG2 4.04Å; F953-V957 HydrophobicContact CE2-CG2 4Å; F953-V957 HydrophobicContact CZ-CG2 3.83Å; F953-V957 WeakPolarHBondContact O-CG2 3.16Å; F953-V957 PolarHBondContact O-N 2.93Å; S954-V957 PolarHBondContact O-N 2.99Å; A955-V957 PolarHBondContact O-N 2.98Å; V957-V960 PolarHBondContact O-N 2.88Å; V957-Q961 HydrophobicContact CG1-CG 4.32Å; V957-Q961 WeakPolarHBondContact O-CB 3.46Å; V957-Q961 VanDerWaalsContact O-CG 3.28Å; V957-Q961 WeakPolarHBondContact O-CG 3.47Å; V957-Q961 PolarHBondContact O-N 3.37Å |
| 958 | K | 85.2 | Confident | 81 | Confident | 97 Ų | 97 | 54.8 Ų | 54.8 | 42% | 0.422 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 173.1 | -69.2 | 173.1 | -173 | 174.8 | 0 | 112.6 | S954 A955 T956 Q961 T962 | S954-K958 WeakPolarHBondContact O-CG 3.49Å; S954-K958 PolarHBondContact O-N 3.46Å; S954-K958 VanDerWaalsContact O-N 3.09Å; A955-K958 WeakPolarHBondContact O-CB 3.28Å; A955-K958 PolarHBondContact O-N 3.17Å; T956-K958 VanDerWaalsContact C-N 3.31Å; T956-K958 PolarHBondContact O-N 2.96Å; K958-Q961 PolarHBondContact O-N 2.89Å; K958-T962 VanDerWaalsContact O-CB 3.32Å; K958-T962 WeakPolarHBondContact O-CB 3.26Å; K958-T962 PolarHBondContact O-N 3.45Å; K958-T962 PolarHBondContact O-OG1 2.92Å |
| 959 | V | 82.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60 | -50.8 | 175.4 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | A955 T956 Q961 T962 V963 S988 I989 L992 I1053 A1057 | A955-V959 PolarHBondContact O-N 3.2Å; T956-V959 PolarHBondContact O-N 3.18Å; T956-V959 VanDerWaalsContact O-N 3.14Å; V959-Q961 PolarHBondContact O-N 3.03Å; V959-T962 PolarHBondContact O-N 3.06Å; V959-T962 VanDerWaalsContact O-N 3.16Å; V959-V963 WeakPolarHBondContact O-CG2 3.42Å; V959-V963 PolarHBondContact O-N 3.35Å; V959-S988 WeakPolarHBondContact CG2-O 3.33Å; V959-I989 HydrophobicContact CG1-CG1 4.27Å; V959-I989 HydrophobicContact CG2-CG1 4.33Å; V959-L992 HydrophobicContact CG2-CB 4.3Å; V959-L992 HydrophobicContact CG2-CD2 4.19Å; V959-I1053 HydrophobicContact CG1-CG2 4.08Å; V959-A1057 HydrophobicContact CB-CB 4.2Å; V959-A1057 HydrophobicContact CG1-CB 3.81Å |
| 960 | V | 79.8 | Confident | 83.6 | Confident | 62 Ų | 62 | 45.8 Ų | 45.8 | 38% | 0.376 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.6 | -41.7 | -179.8 | 178.7 | 0 | 0 | 0 | 0 | 111.9 | T956 V957 S964 A1054 | T956-V960 WeakPolarHBondContact O-CG2 3.46Å; T956-V960 PolarHBondContact O-N 3.23Å; T956-V960 VanDerWaalsContact O-N 3.09Å; V957-V960 PolarHBondContact O-N 2.88Å; V960-S964 WeakPolarHBondContact O-CB 3.14Å; V960-S964 PolarHBondContact O-N 3.17Å; V960-S964 VanDerWaalsContact O-N 3.07Å; V960-A1054 HydrophobicContact CG2-CB 4.19Å |
| 961 | Q | 78.3 | Confident | 83.4 | Confident | 116 Ų | 116 | 48.2 Ų | 48.2 | 54% | 0.542 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 174.6 | -74 | 175.1 | -6.7 | 0 | 0 | 112.1 | V957 K958 V959 S964 L965 | V957-Q961 HydrophobicContact CG1-CG 4.32Å; V957-Q961 WeakPolarHBondContact O-CB 3.46Å; V957-Q961 VanDerWaalsContact O-CG 3.28Å; V957-Q961 WeakPolarHBondContact O-CG 3.47Å; V957-Q961 PolarHBondContact O-N 3.37Å; K958-Q961 PolarHBondContact O-N 2.89Å; V959-Q961 PolarHBondContact O-N 3.03Å; Q961-S964 PolarHBondContact O-N 2.85Å; Q961-L965 WeakPolarHBondContact O-CG 3.35Å; Q961-L965 PolarHBondContact O-N 2.88Å |
| 962 | T | 87.9 | Confident | 83.2 | Confident | 29 Ų | 29 | 50.5 Ų | 50.5 | 18% | 0.178 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66 | -43.4 | 179.8 | -54.4 | 0 | 0 | 0 | 0 | 111.4 | K958 V959 S964 L965 V966 T984 I985 | K958-T962 VanDerWaalsContact O-CB 3.32Å; K958-T962 WeakPolarHBondContact O-CB 3.26Å; K958-T962 PolarHBondContact O-N 3.45Å; K958-T962 PolarHBondContact O-OG1 2.92Å; V959-T962 PolarHBondContact O-N 3.06Å; V959-T962 VanDerWaalsContact O-N 3.16Å; T962-S964 VanDerWaalsContact C-N 3.33Å; T962-S964 PolarHBondContact O-N 2.91Å; T962-L965 PolarHBondContact O-N 2.94Å; T962-V966 HydrophobicContact CG2-CG2 4.46Å; T962-V966 WeakPolarHBondContact O-CB 3.49Å; T962-V966 WeakPolarHBondContact O-CG2 3.41Å; T962-V966 PolarHBondContact O-N 2.63Å; T962-T984 WeakPolarHBondContact CG2-OG1 3.31Å; T962-I985 HydrophobicContact CG2-CG1 4.07Å |
| 963 | V | 84.2 | Confident | 83.2 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.9 | -45.4 | 172.9 | 164.7 | 0 | 0 | 0 | 0 | 111.2 | V959 L965 V966 S967 I985 A1050 Y1051 I1053 A1054 | V959-V963 WeakPolarHBondContact O-CG2 3.42Å; V959-V963 PolarHBondContact O-N 3.35Å; V963-L965 PolarHBondContact O-N 2.96Å; V963-V966 PolarHBondContact O-N 2.86Å; V963-S967 PolarHBondContact O-N 3.02Å; V963-S967 PolarHBondContact O-OG 2.99Å; V963-I985 HydrophobicContact CG2-CD1 4.15Å; V963-I985 HydrophobicContact CG2-CG1 4.28Å; V963-I985 HydrophobicContact CG2-CG2 4.12Å; V963-A1050 HydrophobicContact CG1-CB 4.22Å; V963-A1050 WeakPolarHBondContact CG1-O 3.46Å; V963-A1050 WeakPolarHBondContact CG2-O 3.37Å; V963-Y1051 HydrophobicContact CG1-CD1 3.99Å; V963-Y1051 HydrophobicContact CG1-CE1 4.31Å; V963-I1053 HydrophobicContact CG2-CB 4.48Å; V963-I1053 HydrophobicContact CG2-CG2 4.27Å; V963-A1054 HydrophobicContact CB-CB 4.18Å; V963-A1054 HydrophobicContact CG1-CB 3.95Å; V963-A1054 HydrophobicContact CG2-CB 4.23Å |
| 964 | S | 76.8 | Confident | 83.1 | Confident | 49 Ų | 49 | 53 Ų | 53 | 34% | 0.343 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.2 | -35.7 | -179.6 | -172.5 | 0 | 0 | 0 | 0 | 113.2 | V960 Q961 T962 S967 Q968 | V960-S964 WeakPolarHBondContact O-CB 3.14Å; V960-S964 PolarHBondContact O-N 3.17Å; V960-S964 VanDerWaalsContact O-N 3.07Å; Q961-S964 PolarHBondContact O-N 2.85Å; T962-S964 VanDerWaalsContact C-N 3.33Å; T962-S964 PolarHBondContact O-N 2.91Å; S964-S967 PolarHBondContact O-OG 3.01Å; S964-S967 VanDerWaalsContact O-OG 3.1Å; S964-Q968 WeakPolarHBondContact O-CG 3.49Å; S964-Q968 PolarHBondContact O-NE2 3.42Å |
| 965 | L | 82.8 | Confident | 82.9 | Confident | 101 Ų | 101 | 53 Ų | 53 | 53% | 0.529 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -71.4 | -43.7 | 173.5 | -71.3 | 168.2 | 0 | 0 | 0 | 111.7 | Q961 T962 V963 Q968 Q969 | Q961-L965 WeakPolarHBondContact O-CG 3.35Å; Q961-L965 PolarHBondContact O-N 2.88Å; T962-L965 PolarHBondContact O-N 2.94Å; V963-L965 PolarHBondContact O-N 2.96Å; L965-Q968 PolarHBondContact O-N 3.47Å; L965-Q969 WeakPolarHBondContact O-CG 3.47Å; L965-Q969 PolarHBondContact O-N 3.32Å |
| 966 | V | 85.9 | Confident | 82.4 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.7 | -35.4 | -179.5 | 166.8 | 0 | 0 | 0 | 0 | 112.2 | T962 V963 Q969 I970 L981 I982 T984 I985 | T962-V966 HydrophobicContact CG2-CG2 4.46Å; T962-V966 WeakPolarHBondContact O-CB 3.49Å; T962-V966 WeakPolarHBondContact O-CG2 3.41Å; T962-V966 PolarHBondContact O-N 2.63Å; V963-V966 PolarHBondContact O-N 2.86Å; V966-Q969 PolarHBondContact O-N 3.06Å; V966-I970 HydrophobicContact CG1-CD1 3.67Å; V966-I970 HydrophobicContact CG1-CG1 4.16Å; V966-I970 VanDerWaalsContact O-CG1 3.28Å; V966-I970 WeakPolarHBondContact O-CG1 3.43Å; V966-I970 PolarHBondContact O-N 2.79Å; V966-L981 HydrophobicContact CG1-CB 4.04Å; V966-L981 HydrophobicContact CG2-CB 4.34Å; V966-I982 HydrophobicContact CG1-CG1 4.19Å; V966-T984 WeakPolarHBondContact CG2-OG1 3.21Å; V966-I985 HydrophobicContact CB-CD1 4.01Å; V966-I985 HydrophobicContact CB-CG1 4.28Å; V966-I985 HydrophobicContact CG1-CD1 3.74Å; V966-I985 HydrophobicContact CG1-CG1 4.39Å; V966-I985 HydrophobicContact CG2-CD1 4.34Å; V966-I985 HydrophobicContact CG2-CG1 4.1Å |
| 967 | S | 83 | Confident | 82.4 | Confident | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.7 | -41 | 175.7 | 67.2 | 0 | 0 | 0 | 0 | 112.2 | V963 S964 Q969 I970 Y1051 | V963-S967 PolarHBondContact O-N 3.02Å; V963-S967 PolarHBondContact O-OG 2.99Å; S964-S967 PolarHBondContact O-OG 3.01Å; S964-S967 VanDerWaalsContact O-OG 3.1Å; S967-Q969 VanDerWaalsContact C-N 3.34Å; S967-I970 PolarHBondContact O-N 2.85Å; S967-Y1051 PolarHBondContact OG-OH 2.97Å |
| 968 | Q | 81.9 | Confident | 82.9 | Confident | 115 Ų | 115 | 60.2 Ų | 60.2 | 54% | 0.537 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 173.2 | -67.2 | 169.8 | 52 | 0 | 0 | 111.9 | S964 L965 T972 | S964-Q968 WeakPolarHBondContact O-CG 3.49Å; S964-Q968 PolarHBondContact O-NE2 3.42Å; L965-Q968 PolarHBondContact O-N 3.47Å; Q968-T972 PolarHBondContact O-OG1 3.39Å |
| 969 | Q | 88.4 | Confident | 82.9 | Confident | 85 Ų | 85 | 57.2 Ų | 57.2 | 40% | 0.397 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.8 | -39.1 | 177.6 | -71.7 | 171.6 | -25.9 | 0 | 0 | 112.4 | L965 V966 S967 I971 T972 S973 L981 | L965-Q969 WeakPolarHBondContact O-CG 3.47Å; L965-Q969 PolarHBondContact O-N 3.32Å; V966-Q969 PolarHBondContact O-N 3.06Å; S967-Q969 VanDerWaalsContact C-N 3.34Å; Q969-I971 VanDerWaalsContact C-N 3.25Å; Q969-I971 PolarHBondContact O-N 3.29Å; Q969-T972 PolarHBondContact O-N 2.84Å; Q969-T972 PolarHBondContact O-OG1 3.5Å; Q969-T972 VanDerWaalsContact O-OG1 3.14Å; Q969-S973 VanDerWaalsContact O-CB 3.27Å; Q969-S973 WeakPolarHBondContact O-CB 3.47Å; Q969-S973 PolarHBondContact O-N 2.74Å; Q969-L981 HydrophobicContact CB-CD1 3.73Å; Q969-L981 HydrophobicContact CB-CD2 4.02Å |
| 970 | I | 84.3 | Confident | 83.1 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.6 | -34.7 | 179.6 | -77.6 | 166.1 | 0 | 0 | 0 | 113 | V966 S967 T972 Y978 L981 I982 R1043 L1046 M1047 | V966-I970 HydrophobicContact CG1-CD1 3.67Å; V966-I970 HydrophobicContact CG1-CG1 4.16Å; V966-I970 VanDerWaalsContact O-CG1 3.28Å; V966-I970 WeakPolarHBondContact O-CG1 3.43Å; V966-I970 PolarHBondContact O-N 2.79Å; S967-I970 PolarHBondContact O-N 2.85Å; I970-T972 VanDerWaalsContact C-N 3.32Å; I970-T972 PolarHBondContact O-N 2.85Å; I970-Y978 HydrophobicContact CB-CE1 4.27Å; I970-Y978 HydrophobicContact CG1-CD1 4.15Å; I970-Y978 HydrophobicContact CG1-CE1 4.34Å; I970-Y978 HydrophobicContact CG2-CE1 4.11Å; I970-Y978 WeakPolarHBondContact O-CE1 3.48Å; I970-Y978 VanDerWaalsContact O-CZ 3.31Å; I970-Y978 PolarHBondContact O-OH 2.92Å; I970-L981 HydrophobicContact CG1-CD1 4Å; I970-I982 HydrophobicContact CD1-CD1 4.24Å; I970-I982 HydrophobicContact CD1-CG1 4.46Å; I970-R1043 HydrophobicContact CG2-CB 4.49Å; I970-R1043 HydrophobicContact CG2-CG 4.21Å; I970-L1046 HydrophobicContact CD1-CB 4.48Å; I970-L1046 HydrophobicContact CG2-CD1 4.37Å; I970-M1047 HydrophobicContact CG2-CG 4.4Å |
| 971 | I | 80.1 | Confident | 83.6 | Confident | 80 Ų | 80 | 59.8 Ų | 59.8 | 41% | 0.41 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.5 | -36 | 177.7 | -61.4 | 167.2 | 0 | 0 | 0 | 111.5 | Q969 R1043 M1047 | Q969-I971 VanDerWaalsContact C-N 3.25Å; Q969-I971 PolarHBondContact O-N 3.29Å; I971-R1043 PolarHBondContact O-NH2 3.35Å; I971-M1047 HydrophobicContact CD1-CE 4.16Å; I971-M1047 HydrophobicContact CD1-SD 3.84Å; I971-M1047 HydrophobicContact CG1-CE 3.79Å; I971-M1047 HydrophobicContact CG1-SD 3.77Å |
| 972 | T | 81.9 | Confident | 84.2 | Confident | 117 Ų | 117 | 54.5 Ų | 54.5 | 72% | 0.718 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -100.2 | -29.5 | -171.7 | 49.5 | 0 | 0 | 0 | 0 | 113.7 | Q968 Q969 I970 | Q968-T972 PolarHBondContact O-OG1 3.39Å; Q969-T972 PolarHBondContact O-N 2.84Å; Q969-T972 PolarHBondContact O-OG1 3.5Å; Q969-T972 VanDerWaalsContact O-OG1 3.14Å; I970-T972 VanDerWaalsContact C-N 3.32Å; I970-T972 PolarHBondContact O-N 2.85Å |
| 973 | S | 83.8 | Confident | 84.3 | Confident | 21 Ų | 21 | 60.2 Ų | 60.2 | 15% | 0.147 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -72.5 | 160.8 | 175.5 | -94.1 | 0 | 0 | 0 | 0 | 113.7 | Q969 E977 Y978 R1043 | Q969-S973 VanDerWaalsContact O-CB 3.27Å; Q969-S973 WeakPolarHBondContact O-CB 3.47Å; Q969-S973 PolarHBondContact O-N 2.74Å; S973-E977 VanDerWaalsContact CA-OE2 3.23Å; S973-E977 WeakPolarHBondContact CA-OE2 3.5Å; S973-E977 WeakPolarHBondContact CB-OE2 3.49Å; S973-E977 PolarHBondContact OG-OE2 3.01Å; S973-Y978 WeakPolarHBondContact O-CE1 3.44Å; S973-Y978 PolarHBondContact O-OH 2.88Å; S973-R1043 PolarHBondContact O-NH2 3.47Å |
| 974 | K | 82 | Confident | 84.7 | Confident | 133 Ų | 133 | 63 Ų | 63 | 58% | 0.578 | 34% | 0.335 | S | S | * | . | trans | -86.1 | 157 | 174.7 | -55.7 | 176.8 | 179.8 | 169.2 | 0 | 111.6 | E976 E977 Y978 | K974-E976 WeakPolarHBondContact CB-OE2 3.43Å; K974-E976 PolarHBondContact O-N 3.16Å; K974-E976 VanDerWaalsContact O-N 3.11Å; K974-E977 PolarHBondContact N-OE2 3.5Å; K974-E977 WeakPolarHBondContact O-CB 3.35Å; K974-E977 PolarHBondContact O-N 3.39Å; K974-Y978 WeakPolarHBondContact O-CD1 3.41Å; K974-Y978 WeakPolarHBondContact O-CE1 3.32Å | ||
| 975 | P | 80.4 | Confident | 85.4 | Confident | 43 Ų | 43 | 60.7 Ų | 60.7 | 28% | 0.279 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -29.1 | -177.5 | -26.6 | 36.5 | 0 | 0 | 0 | 115.2 | E977 Y978 L1039 | P975-E977 VanDerWaalsContact C-N 3.25Å; P975-E977 PolarHBondContact O-N 2.9Å; P975-Y978 HydrophobicContact CB-CD2 4.42Å; P975-Y978 HydrophobicContact CB-CE2 4.3Å; P975-Y978 HydrophobicContact CG-CE2 4.48Å; P975-L1039 HydrophobicContact CG-CD1 3.95Å |
| 976 | E | 79.7 | Confident | 85.8 | Confident | 133 Ų | 133 | 57.1 Ų | 57.1 | 62% | 0.621 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -27.1 | 177.8 | -55.7 | 83.4 | 175 | 0 | 0 | 112.6 | K974 | K974-E976 WeakPolarHBondContact CB-OE2 3.43Å; K974-E976 PolarHBondContact O-N 3.16Å; K974-E976 VanDerWaalsContact O-N 3.11Å |
| 977 | E | 84.9 | Confident | 86 | Confident | 78 Ų | 78 | 61 Ų | 61 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -21.9 | -175.2 | -60.8 | 165.6 | 172.5 | 0 | 0 | 112.3 | S973 K974 P975 G979 T980 L981 | S973-E977 VanDerWaalsContact CA-OE2 3.23Å; S973-E977 WeakPolarHBondContact CA-OE2 3.5Å; S973-E977 WeakPolarHBondContact CB-OE2 3.49Å; S973-E977 PolarHBondContact OG-OE2 3.01Å; K974-E977 PolarHBondContact N-OE2 3.5Å; K974-E977 WeakPolarHBondContact O-CB 3.35Å; K974-E977 PolarHBondContact O-N 3.39Å; P975-E977 VanDerWaalsContact C-N 3.25Å; P975-E977 PolarHBondContact O-N 2.9Å; E977-G979 VanDerWaalsContact C-N 3.27Å; E977-G979 PolarHBondContact O-N 2.79Å; E977-T980 WeakPolarHBondContact O-CA 3.47Å; E977-T980 WeakPolarHBondContact O-CB 3.41Å; E977-T980 PolarHBondContact O-N 3.5Å; E977-L981 PolarHBondContact O-N 3.37Å |
| 978 | Y | 87.4 | Confident | 86.4 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 0% | 0.004 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.5 | -37.4 | -176.8 | -63.2 | -13.8 | 0 | 0 | 0 | 112.9 | I970 S973 K974 P975 T980 L981 I982 Y1042 R1043 L1046 | I970-Y978 HydrophobicContact CB-CE1 4.27Å; I970-Y978 HydrophobicContact CG1-CD1 4.15Å; I970-Y978 HydrophobicContact CG1-CE1 4.34Å; I970-Y978 HydrophobicContact CG2-CE1 4.11Å; I970-Y978 WeakPolarHBondContact O-CE1 3.48Å; I970-Y978 VanDerWaalsContact O-CZ 3.31Å; I970-Y978 PolarHBondContact O-OH 2.92Å; S973-Y978 WeakPolarHBondContact O-CE1 3.44Å; S973-Y978 PolarHBondContact O-OH 2.88Å; K974-Y978 WeakPolarHBondContact O-CD1 3.41Å; K974-Y978 WeakPolarHBondContact O-CE1 3.32Å; P975-Y978 HydrophobicContact CB-CD2 4.42Å; P975-Y978 HydrophobicContact CB-CE2 4.3Å; P975-Y978 HydrophobicContact CG-CE2 4.48Å; Y978-T980 PolarHBondContact O-N 2.88Å; Y978-L981 HydrophobicContact CD1-CD1 4.23Å; Y978-L981 PolarHBondContact O-N 3.44Å; Y978-I982 WeakPolarHBondContact O-CB 3.33Å; Y978-I982 PolarHBondContact O-N 3.45Å; Y978-Y1042 HydrophobicContact CD2-CE1 4.12Å; Y978-Y1042 HydrophobicContact CE2-CE1 4.1Å; Y978-R1043 WeakPolarHBondContact OH-CG 3.38Å; Y978-R1043 PolarHBondContact OH-NE 3.22Å; Y978-L1046 HydrophobicContact CD2-CD1 3.63Å; Y978-L1046 HydrophobicContact CE2-CD1 4.01Å; Y978-L1046 HydrophobicContact CG-CD1 4.27Å |
| 979 | G | 85.2 | Confident | 86.9 | Confident | 33 Ų | 33 | 56 Ų | 56 | 34% | 0.34 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.3 | -12.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | E977 K983 | E977-G979 VanDerWaalsContact C-N 3.27Å; E977-G979 PolarHBondContact O-N 2.79Å; G979-K983 WeakPolarHBondContact O-CD 3.22Å; G979-K983 WeakPolarHBondContact O-CE 3.46Å; G979-K983 WeakPolarHBondContact O-CG 3.33Å |
| 980 | T | 87.3 | Confident | 86.9 | Confident | 94 Ų | 94 | 58.9 Ų | 58.9 | 58% | 0.577 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -93.4 | -44.2 | 171.7 | -50.9 | 0 | 0 | 0 | 0 | 110.3 | E977 Y978 I982 K983 | E977-T980 WeakPolarHBondContact O-CA 3.47Å; E977-T980 WeakPolarHBondContact O-CB 3.41Å; E977-T980 PolarHBondContact O-N 3.5Å; Y978-T980 PolarHBondContact O-N 2.88Å; T980-I982 PolarHBondContact O-N 3.43Å; T980-K983 PolarHBondContact O-N 3.45Å |
| 981 | L | 89.9 | Confident | 87.2 | Confident | 23 Ų | 23 | 62.8 Ų | 62.8 | 12% | 0.12 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -56.7 | -49.7 | 175.7 | -61.4 | -179 | 0 | 0 | 0 | 111.6 | V966 Q969 I970 E977 Y978 K983 T984 | V966-L981 HydrophobicContact CG1-CB 4.04Å; V966-L981 HydrophobicContact CG2-CB 4.34Å; Q969-L981 HydrophobicContact CB-CD1 3.73Å; Q969-L981 HydrophobicContact CB-CD2 4.02Å; I970-L981 HydrophobicContact CG1-CD1 4Å; E977-L981 PolarHBondContact O-N 3.37Å; Y978-L981 HydrophobicContact CD1-CD1 4.23Å; Y978-L981 PolarHBondContact O-N 3.44Å; L981-K983 VanDerWaalsContact C-N 3.26Å; L981-K983 PolarHBondContact O-N 2.9Å; L981-T984 WeakPolarHBondContact O-CB 3.22Å; L981-T984 PolarHBondContact O-N 3.38Å; L981-T984 PolarHBondContact O-OG1 2.75Å |
| 982 | I | 91.1 | Very high | 87.7 | Confident | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.9 | -19.8 | -173.3 | -72.5 | 167 | 0 | 0 | 0 | 112.6 | V966 I970 Y978 T980 T984 I985 G986 M1019 L1022 T1026 L1046 | V966-I982 HydrophobicContact CG1-CG1 4.19Å; I970-I982 HydrophobicContact CD1-CD1 4.24Å; I970-I982 HydrophobicContact CD1-CG1 4.46Å; Y978-I982 WeakPolarHBondContact O-CB 3.33Å; Y978-I982 PolarHBondContact O-N 3.45Å; T980-I982 PolarHBondContact O-N 3.43Å; I982-T984 PolarHBondContact O-N 2.96Å; I982-I985 PolarHBondContact O-N 3.24Å; I982-G986 PolarHBondContact O-N 3.09Å; I982-M1019 HydrophobicContact CG2-CE 3.92Å; I982-M1019 WeakPolarHBondContact O-CE 3.21Å; I982-L1022 HydrophobicContact CD1-CD1 3.86Å; I982-L1022 HydrophobicContact CD1-CD2 4.3Å; I982-L1022 HydrophobicContact CD1-CG 3.99Å; I982-L1022 HydrophobicContact CG1-CD2 4.15Å; I982-L1022 HydrophobicContact CG1-CG 4.34Å; I982-L1022 HydrophobicContact CG2-CD2 3.74Å; I982-L1022 HydrophobicContact CG2-CG 3.84Å; I982-T1026 HydrophobicContact CD1-CG2 4.04Å; I982-T1026 WeakPolarHBondContact CD1-OG1 3.43Å; I982-L1046 HydrophobicContact CD1-CD2 4.12Å |
| 983 | K | 89.6 | Confident | 88.1 | Confident | 148 Ų | 148 | 55.1 Ų | 55.1 | 64% | 0.643 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.1 | -30.3 | 169.1 | -74.7 | 172.5 | -178.9 | 179.5 | 0 | 112.9 | G979 T980 L981 G986 T987 | G979-K983 WeakPolarHBondContact O-CD 3.22Å; G979-K983 WeakPolarHBondContact O-CE 3.46Å; G979-K983 WeakPolarHBondContact O-CG 3.33Å; T980-K983 PolarHBondContact O-N 3.45Å; L981-K983 VanDerWaalsContact C-N 3.26Å; L981-K983 PolarHBondContact O-N 2.9Å; K983-G986 WeakPolarHBondContact O-CA 3.37Å; K983-G986 PolarHBondContact O-N 3.04Å; K983-G986 VanDerWaalsContact O-N 3.16Å; K983-T987 PolarHBondContact O-N 3.2Å; K983-T987 PolarHBondContact O-OG1 3.43Å |
| 984 | T | 92.3 | Very high | 88.3 | Confident | 60 Ų | 60 | 56.6 Ų | 56.6 | 37% | 0.368 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.1 | -38.4 | 179.6 | 68.7 | 0 | 0 | 0 | 0 | 111.9 | T962 V966 L981 I982 G986 T987 S988 | T962-T984 WeakPolarHBondContact CG2-OG1 3.31Å; V966-T984 WeakPolarHBondContact CG2-OG1 3.21Å; L981-T984 WeakPolarHBondContact O-CB 3.22Å; L981-T984 PolarHBondContact O-N 3.38Å; L981-T984 PolarHBondContact O-OG1 2.75Å; I982-T984 PolarHBondContact O-N 2.96Å; T984-G986 VanDerWaalsContact C-N 3.33Å; T984-T987 WeakPolarHBondContact CA-OG1 3.43Å; T984-T987 PolarHBondContact O-N 3.42Å; T984-T987 PolarHBondContact O-OG1 3.21Å; T984-S988 PolarHBondContact O-N 3.39Å; T984-S988 PolarHBondContact O-OG 2.94Å |
| 985 | I | 90.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 170.1 | -57.8 | 173.9 | 0 | 0 | 0 | 109.3 | T962 V963 V966 I982 T987 S988 I989 M1019 L1022 A1050 I1053 | T962-I985 HydrophobicContact CG2-CG1 4.07Å; V963-I985 HydrophobicContact CG2-CD1 4.15Å; V963-I985 HydrophobicContact CG2-CG1 4.28Å; V963-I985 HydrophobicContact CG2-CG2 4.12Å; V966-I985 HydrophobicContact CB-CD1 4.01Å; V966-I985 HydrophobicContact CB-CG1 4.28Å; V966-I985 HydrophobicContact CG1-CD1 3.74Å; V966-I985 HydrophobicContact CG1-CG1 4.39Å; V966-I985 HydrophobicContact CG2-CD1 4.34Å; V966-I985 HydrophobicContact CG2-CG1 4.1Å; I982-I985 PolarHBondContact O-N 3.24Å; I985-T987 VanDerWaalsContact C-N 3.3Å; I985-T987 PolarHBondContact O-N 3.25Å; I985-S988 PolarHBondContact O-N 2.8Å; I985-S988 VanDerWaalsContact O-N 3.15Å; I985-S988 PolarHBondContact O-OG 3.08Å; I985-I989 HydrophobicContact CG2-CD1 3.99Å; I985-I989 HydrophobicContact CG2-CG1 4.44Å; I985-I989 WeakPolarHBondContact O-CG1 3.42Å; I985-I989 PolarHBondContact O-N 3.37Å; I985-M1019 HydrophobicContact CB-CE 4.49Å; I985-M1019 HydrophobicContact CB-SD 4.41Å; I985-M1019 HydrophobicContact CG2-SD 3.9Å; I985-L1022 HydrophobicContact CD1-CD2 3.9Å; I985-A1050 HydrophobicContact CD1-CB 4.34Å; I985-I1053 HydrophobicContact CG2-CD1 4.04Å; I985-I1053 HydrophobicContact CG2-CG2 3.87Å |
| 986 | G | 91 | Very high | 89 | Confident | 26 Ų | 26 | 49 Ų | 49 | 27% | 0.268 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.9 | -38.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I982 K983 T984 K990 | I982-G986 PolarHBondContact O-N 3.09Å; K983-G986 WeakPolarHBondContact O-CA 3.37Å; K983-G986 PolarHBondContact O-N 3.04Å; K983-G986 VanDerWaalsContact O-N 3.16Å; T984-G986 VanDerWaalsContact C-N 3.33Å; G986-K990 PolarHBondContact O-N 3.14Å; G986-K990 VanDerWaalsContact O-N 3.15Å |
| 987 | T | 90.3 | Very high | 89.2 | Confident | 84 Ų | 84 | 47 Ų | 47 | 52% | 0.515 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -69.2 | -40.3 | 174.1 | 43.4 | 0 | 0 | 0 | 0 | 112.9 | K983 T984 I985 I989 K990 D991 | K983-T987 PolarHBondContact O-N 3.2Å; K983-T987 PolarHBondContact O-OG1 3.43Å; T984-T987 WeakPolarHBondContact CA-OG1 3.43Å; T984-T987 PolarHBondContact O-N 3.42Å; T984-T987 PolarHBondContact O-OG1 3.21Å; I985-T987 VanDerWaalsContact C-N 3.3Å; I985-T987 PolarHBondContact O-N 3.25Å; T987-I989 VanDerWaalsContact C-N 3.35Å; T987-I989 PolarHBondContact O-N 3.4Å; T987-K990 WeakPolarHBondContact O-CB 3.27Å; T987-K990 PolarHBondContact O-N 3Å; T987-D991 PolarHBondContact O-N 3.34Å |
| 988 | S | 92 | Very high | 89.3 | Confident | 7 Ų | 7 | 50.3 Ų | 50.3 | 5% | 0.049 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.5 | -31.3 | 178.7 | 59.1 | 0 | 0 | 0 | 0 | 113 | V959 T984 I985 D991 L992 | V959-S988 WeakPolarHBondContact CG2-O 3.33Å; T984-S988 PolarHBondContact O-N 3.39Å; T984-S988 PolarHBondContact O-OG 2.94Å; I985-S988 PolarHBondContact O-N 2.8Å; I985-S988 VanDerWaalsContact O-N 3.15Å; I985-S988 PolarHBondContact O-OG 3.08Å; S988-D991 PolarHBondContact O-N 3.01Å; S988-L992 PolarHBondContact O-N 3Å; S988-L992 VanDerWaalsContact O-N 3.14Å |
| 989 | I | 91.6 | Very high | 89.2 | Confident | 6 Ų | 6 | 54.4 Ų | 54.4 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 169.9 | -65.4 | 169.6 | 0 | 0 | 0 | 110.9 | V959 I985 T987 D991 L992 F993 L1015 M1019 I1053 | V959-I989 HydrophobicContact CG1-CG1 4.27Å; V959-I989 HydrophobicContact CG2-CG1 4.33Å; I985-I989 HydrophobicContact CG2-CD1 3.99Å; I985-I989 HydrophobicContact CG2-CG1 4.44Å; I985-I989 WeakPolarHBondContact O-CG1 3.42Å; I985-I989 PolarHBondContact O-N 3.37Å; T987-I989 VanDerWaalsContact C-N 3.35Å; T987-I989 PolarHBondContact O-N 3.4Å; I989-D991 VanDerWaalsContact C-N 3.32Å; I989-D991 PolarHBondContact O-N 2.98Å; I989-L992 WeakPolarHBondContact O-CB 3.47Å; I989-L992 PolarHBondContact O-N 2.85Å; I989-L992 VanDerWaalsContact O-N 3.12Å; I989-F993 HydrophobicContact CG2-CD2 3.88Å; I989-F993 HydrophobicContact CG2-CE1 4.35Å; I989-F993 HydrophobicContact CG2-CE2 3.29Å; I989-F993 HydrophobicContact CG2-CZ 3.56Å; I989-F993 PolarHBondContact O-N 2.98Å; I989-L1015 HydrophobicContact CD1-CD1 4.34Å; I989-L1015 HydrophobicContact CG2-CD2 4.01Å; I989-L1015 HydrophobicContact CG2-CG 4.18Å; I989-M1019 HydrophobicContact CD1-CB 3.84Å; I989-M1019 HydrophobicContact CD1-CG 3.79Å; I989-M1019 HydrophobicContact CD1-SD 3.63Å; I989-I1053 HydrophobicContact CD1-CG2 3.66Å; I989-I1053 HydrophobicContact CG1-CG2 4.22Å |
| 990 | K | 89.3 | Confident | 89.1 | Confident | 145 Ų | 145 | 54.6 Ų | 54.6 | 63% | 0.63 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.2 | -40.1 | 176.5 | -171.9 | -174.9 | 174.9 | -171.7 | 0 | 111.8 | G986 T987 L992 S994 | G986-K990 PolarHBondContact O-N 3.14Å; G986-K990 VanDerWaalsContact O-N 3.15Å; T987-K990 WeakPolarHBondContact O-CB 3.27Å; T987-K990 PolarHBondContact O-N 3Å; K990-L992 VanDerWaalsContact C-N 3.29Å; K990-L992 PolarHBondContact O-N 3.05Å; K990-S994 WeakPolarHBondContact O-CB 3.47Å; K990-S994 PolarHBondContact O-N 2.92Å; K990-S994 PolarHBondContact O-OG 2.83Å |
| 991 | D | 89.6 | Confident | 88.6 | Confident | 81 Ų | 81 | 51.4 Ų | 51.4 | 43% | 0.433 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.6 | -37.6 | 173.8 | -73.2 | 2.6 | 0 | 0 | 0 | 111.5 | T987 S988 I989 S994 A995 | T987-D991 PolarHBondContact O-N 3.34Å; S988-D991 PolarHBondContact O-N 3.01Å; I989-D991 VanDerWaalsContact C-N 3.32Å; I989-D991 PolarHBondContact O-N 2.98Å; D991-S994 PolarHBondContact O-N 3.44Å; D991-A995 PolarHBondContact O-N 2.78Å |
| 992 | L | 90.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.5 | -50.1 | 176.6 | 177.5 | 57.3 | 0 | 0 | 0 | 112.5 | V952 A955 T956 V959 S988 I989 K990 S994 A995 I996 L1015 A1057 L1060 | V952-L992 HydrophobicContact CG1-CD1 3.71Å; A955-L992 HydrophobicContact CB-CB 4.01Å; A955-L992 HydrophobicContact CB-CD1 3.89Å; T956-L992 VanDerWaalsContact OG1-CD1 3.28Å; T956-L992 WeakPolarHBondContact OG1-CD1 3.29Å; V959-L992 HydrophobicContact CG2-CB 4.3Å; V959-L992 HydrophobicContact CG2-CD2 4.19Å; S988-L992 PolarHBondContact O-N 3Å; S988-L992 VanDerWaalsContact O-N 3.14Å; I989-L992 WeakPolarHBondContact O-CB 3.47Å; I989-L992 PolarHBondContact O-N 2.85Å; I989-L992 VanDerWaalsContact O-N 3.12Å; K990-L992 VanDerWaalsContact C-N 3.29Å; K990-L992 PolarHBondContact O-N 3.05Å; L992-S994 PolarHBondContact O-N 3.25Å; L992-A995 WeakPolarHBondContact O-CB 3.46Å; L992-A995 PolarHBondContact O-N 2.8Å; L992-A995 VanDerWaalsContact O-N 3.1Å; L992-I996 HydrophobicContact CD1-CD1 4.08Å; L992-I996 HydrophobicContact CD1-CG1 4.42Å; L992-I996 HydrophobicContact CG-CD1 4.18Å; L992-I996 WeakPolarHBondContact O-CG1 3.4Å; L992-I996 PolarHBondContact O-N 2.8Å; L992-L1015 HydrophobicContact CD2-CD2 4.04Å; L992-A1057 HydrophobicContact CD2-CB 4.04Å; L992-L1060 HydrophobicContact CD2-CD2 4.11Å; L992-L1060 HydrophobicContact CG-CD2 4.39Å |
| 993 | F | 90.1 | Very high | 86.5 | Confident | 37 Ų | 37 | 65.2 Ų | 65.2 | 16% | 0.162 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.2 | -35 | 174.1 | -61 | -36.5 | 0 | 0 | 0 | 111.8 | I989 A995 I996 Q997 E1012 L1015 N1016 L1060 | I989-F993 HydrophobicContact CG2-CD2 3.88Å; I989-F993 HydrophobicContact CG2-CE1 4.35Å; I989-F993 HydrophobicContact CG2-CE2 3.29Å; I989-F993 HydrophobicContact CG2-CZ 3.56Å; I989-F993 PolarHBondContact O-N 2.98Å; F993-A995 VanDerWaalsContact C-N 3.33Å; F993-A995 PolarHBondContact O-N 2.9Å; F993-I996 PolarHBondContact O-N 2.93Å; F993-Q997 WeakPolarHBondContact O-CB 3.22Å; F993-Q997 PolarHBondContact O-N 2.85Å; F993-E1012 HydrophobicContact CD1-CB 4.3Å; F993-E1012 HydrophobicContact CD1-CG 3.84Å; F993-E1012 WeakPolarHBondContact CD1-OE1 3.38Å; F993-E1012 HydrophobicContact CE1-CB 3.74Å; F993-E1012 HydrophobicContact CE1-CG 3.67Å; F993-E1012 HydrophobicContact CZ-CB 4.35Å; F993-L1015 HydrophobicContact CE1-CD2 3.88Å; F993-L1015 HydrophobicContact CZ-CB 4.29Å; F993-L1015 HydrophobicContact CZ-CD2 3.95Å; F993-L1015 HydrophobicContact CZ-CG 4.18Å; F993-N1016 WeakPolarHBondContact CE2-ND2 3.35Å; F993-N1016 WeakPolarHBondContact CZ-ND2 3.38Å; F993-L1060 HydrophobicContact CD1-CD2 4.21Å; F993-L1060 HydrophobicContact CE1-CD2 3.79Å |
| 994 | S | 88 | Confident | 85.6 | Confident | 52 Ų | 52 | 59 Ų | 59 | 36% | 0.364 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.3 | -36.3 | 175 | -54.4 | 0 | 0 | 0 | 0 | 112.1 | K990 D991 L992 N998 | K990-S994 WeakPolarHBondContact O-CB 3.47Å; K990-S994 PolarHBondContact O-N 2.92Å; K990-S994 PolarHBondContact O-OG 2.83Å; D991-S994 PolarHBondContact O-N 3.44Å; L992-S994 PolarHBondContact O-N 3.25Å; S994-N998 WeakPolarHBondContact O-CB 3.42Å; S994-N998 PolarHBondContact O-N 2.96Å; S994-N998 VanDerWaalsContact O-N 3.15Å; S994-N998 PolarHBondContact O-ND2 2.63Å; S994-N998 VanDerWaalsContact O-ND2 3.16Å |
| 995 | A | 90 | Very high | 84.6 | Confident | 13 Ų | 13 | 59 Ų | 59 | 11% | 0.107 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.6 | -38.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | P951 V952 A955 D991 L992 F993 E999 | P951-A995 HydrophobicContact CB-CB 4.26Å; V952-A995 HydrophobicContact CG2-CB 4.06Å; A955-A995 HydrophobicContact CB-CB 4.24Å; D991-A995 PolarHBondContact O-N 2.78Å; L992-A995 WeakPolarHBondContact O-CB 3.46Å; L992-A995 PolarHBondContact O-N 2.8Å; L992-A995 VanDerWaalsContact O-N 3.1Å; F993-A995 VanDerWaalsContact C-N 3.33Å; F993-A995 PolarHBondContact O-N 2.9Å; A995-E999 PolarHBondContact O-N 2.91Å |
| 996 | I | 87.2 | Confident | 83.9 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -71.7 | -45.8 | 178.4 | -63.7 | 168.9 | 0 | 0 | 0 | 111 | V952 L992 F993 N998 E999 F1000 I1008 L1060 V1064 | V952-I996 HydrophobicContact CG1-CD1 4.15Å; V952-I996 HydrophobicContact CG1-CG1 3.69Å; V952-I996 HydrophobicContact CG2-CG1 3.97Å; L992-I996 HydrophobicContact CD1-CD1 4.08Å; L992-I996 HydrophobicContact CD1-CG1 4.42Å; L992-I996 HydrophobicContact CG-CD1 4.18Å; L992-I996 WeakPolarHBondContact O-CG1 3.4Å; L992-I996 PolarHBondContact O-N 2.8Å; F993-I996 PolarHBondContact O-N 2.93Å; I996-N998 VanDerWaalsContact C-N 3.26Å; I996-N998 PolarHBondContact O-N 3.47Å; I996-E999 PolarHBondContact O-N 3.34Å; I996-F1000 HydrophobicContact CG2-CD2 4.03Å; I996-F1000 PolarHBondContact O-N 3.38Å; I996-I1008 HydrophobicContact CG2-CG2 3.92Å; I996-L1060 HydrophobicContact CD1-CD1 4Å; I996-L1060 HydrophobicContact CD1-CD2 3.66Å; I996-L1060 HydrophobicContact CD1-CG 3.75Å; I996-V1064 HydrophobicContact CD1-CG2 4.02Å; I996-V1064 HydrophobicContact CG1-CG2 4.12Å; I996-V1064 HydrophobicContact CG2-CG2 4.33Å |
| 997 | Q | 85.5 | Confident | 83 | Confident | 93 Ų | 93 | 68.1 Ų | 68.1 | 44% | 0.435 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.4 | -36.1 | 176.5 | -172.1 | 69.6 | 30.2 | 0 | 0 | 111.9 | F993 E999 G1001 D1002 | F993-Q997 WeakPolarHBondContact O-CB 3.22Å; F993-Q997 PolarHBondContact O-N 2.85Å; Q997-E999 PolarHBondContact O-N 3.28Å; Q997-G1001 PolarHBondContact NE2-O 3.44Å; Q997-G1001 VanDerWaalsContact O-CA 3.26Å; Q997-G1001 WeakPolarHBondContact O-CA 3.47Å; Q997-G1001 PolarHBondContact O-N 3.28Å; Q997-D1002 PolarHBondContact NE2-OD1 3.09Å |
| 998 | N | 86.7 | Confident | 82.3 | Confident | 146 Ų | 146 | 64.1 Ų | 64.1 | 78% | 0.781 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -68.6 | -17.7 | 175.1 | -74.6 | -18 | 0 | 0 | 0 | 113.8 | S994 I996 | S994-N998 WeakPolarHBondContact O-CB 3.42Å; S994-N998 PolarHBondContact O-N 2.96Å; S994-N998 VanDerWaalsContact O-N 3.15Å; S994-N998 PolarHBondContact O-ND2 2.63Å; S994-N998 VanDerWaalsContact O-ND2 3.16Å; I996-N998 VanDerWaalsContact C-N 3.26Å; I996-N998 PolarHBondContact O-N 3.47Å |
| 999 | E | 85.4 | Confident | 81.6 | Confident | 88 Ų | 88 | 67.1 Ų | 67.1 | 41% | 0.411 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -98.9 | -42.7 | -179.6 | -176.6 | 170 | -161.4 | 0 | 0 | 112.6 | V952 A995 I996 Q997 R1068 | V952-E999 WeakPolarHBondContact CG2-OE2 3.45Å; A995-E999 PolarHBondContact O-N 2.91Å; I996-E999 PolarHBondContact O-N 3.34Å; Q997-E999 PolarHBondContact O-N 3.28Å; E999-R1068 VanDerWaalsContact CD-NE 3.31Å; E999-R1068 IonicContact OE1-CZ 2.79Å; E999-R1068 IonicContact OE1-NE 3.55Å; E999-R1068 PolarHBondContact OE1-NE 3.38Å; E999-R1068 IonicContact OE1-NH2 2.68Å; E999-R1068 PolarHBondContact OE1-NH2 2.98Å; E999-R1068 IonicContact OE2-CZ 3.5Å; E999-R1068 IonicContact OE2-NE 3.46Å; E999-R1068 PolarHBondContact OE2-NE 2.67Å; E999-R1068 IonicContact OE2-NH2 3.6Å; E999-R1068 PolarHBondContact OE2-NH2 3.07Å |
| 1000 | F | 82.4 | Confident | 80.6 | Confident | 36 Ų | 36 | 70.9 Ų | 70.9 | 16% | 0.158 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -105 | -17.7 | -175.4 | -65 | -89 | 0 | 0 | 0 | 114.4 | I996 H1003 A1004 I1008 V1064 R1068 | I996-F1000 HydrophobicContact CG2-CD2 4.03Å; I996-F1000 PolarHBondContact O-N 3.38Å; F1000-H1003 WeakPolarHBondContact O-CA 3.46Å; F1000-H1003 WeakPolarHBondContact O-CB 3.41Å; F1000-H1003 PolarHBondContact O-N 2.66Å; F1000-A1004 HydrophobicContact CB-CB 4.09Å; F1000-I1008 HydrophobicContact CD1-CD1 4.06Å; F1000-I1008 HydrophobicContact CD2-CD1 4.28Å; F1000-I1008 HydrophobicContact CE1-CD1 3.9Å; F1000-I1008 HydrophobicContact CE2-CD1 4.15Å; F1000-I1008 HydrophobicContact CG-CD1 4.25Å; F1000-I1008 HydrophobicContact CZ-CD1 3.95Å; F1000-V1064 HydrophobicContact CE2-CG1 3.74Å; F1000-V1064 HydrophobicContact CE2-CG2 4.42Å; F1000-V1064 HydrophobicContact CZ-CG1 4.06Å; F1000-R1068 HydrophobicContact CZ-CG 3.97Å |
| 1001 | G | 77.5 | Confident | 79.7 | Confident | 27 Ų | 27 | 64.5 Ų | 64.5 | 28% | 0.278 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | 51.7 | -140.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q997 H1003 | Q997-G1001 PolarHBondContact NE2-O 3.44Å; Q997-G1001 VanDerWaalsContact O-CA 3.26Å; Q997-G1001 WeakPolarHBondContact O-CA 3.47Å; Q997-G1001 PolarHBondContact O-N 3.28Å; G1001-H1003 PolarHBondContact O-N 2.95Å |
| 1002 | D | 70 | Confident | 79.4 | Confident | 151 Ų | 151 | 62 Ų | 62 | 81% | 0.807 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -76.6 | 7 | 176.7 | -57.1 | -29.8 | 0 | 0 | 0 | 113.3 | Q997 | Q997-D1002 PolarHBondContact NE2-OD1 3.09Š|
| 1003 | H | 66.4 | Low | 78.9 | Confident | 167 Ų | 167 | 70.4 Ų | 70.4 | 77% | 0.773 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -103.6 | 14.8 | 179.8 | -56.4 | -40.2 | 0 | 0 | 0 | 113.3 | F1000 G1001 C1005 | F1000-H1003 WeakPolarHBondContact O-CA 3.46Å; F1000-H1003 WeakPolarHBondContact O-CB 3.41Å; F1000-H1003 PolarHBondContact O-N 2.66Å; G1001-H1003 PolarHBondContact O-N 2.95Å; H1003-C1005 PolarHBondContact O-N 2.84Å |
| 1004 | A | 69.8 | Low | 78.2 | Confident | 18 Ų | 18 | 72.5 Ų | 72.5 | 15% | 0.149 | 38% | 0.375 | C | S | . | . | trans | -58.1 | 119.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1000 L1009 | F1000-A1004 HydrophobicContact CB-CB 4.09Å; A1004-L1009 HydrophobicContact CB-CD2 4.11Å; A1004-L1009 HydrophobicContact CB-CG 4.26Å | ||
| 1005 | C | 72.8 | Confident | 77.8 | Confident | 59 Ų | 59 | 70 Ų | 70 | 40% | 0.399 | 36% | 0.358 | S | S | . | . | trans | -57 | 148.3 | 178.6 | -69.6 | 0 | 0 | 0 | 0 | 112.3 | H1003 T1007 I1008 L1009 | H1003-C1005 PolarHBondContact O-N 2.84Å; C1005-T1007 PolarHBondContact O-N 2.81Å; C1005-I1008 HydrophobicContact CB-CD1 4.49Å; C1005-I1008 WeakPolarHBondContact O-CA 3.16Å; C1005-I1008 WeakPolarHBondContact O-CB 3.2Å; C1005-I1008 PolarHBondContact O-N 2.59Å; C1005-L1009 PolarHBondContact O-N 3.38Å; C1005-L1009 VanDerWaalsContact O-N 3.17Å | ||
| 1006 | E | 75.1 | Confident | 77.6 | Confident | 148 Ų | 148 | 73.2 Ų | 73.2 | 69% | 0.692 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -51.1 | -34.9 | 179.9 | -175.4 | 178.3 | -157.9 | 0 | 0 | 113.2 | I1008 L1009 L1010 | E1006-I1008 PolarHBondContact O-N 3.27Å; E1006-L1009 PolarHBondContact O-N 2.66Å; E1006-L1010 HydrophobicContact CG-CD1 4.04Å; E1006-L1010 HydrophobicContact CG-CG 4.37Å; E1006-L1010 WeakPolarHBondContact O-CB 3.39Å; E1006-L1010 VanDerWaalsContact O-CG 3.25Å; E1006-L1010 WeakPolarHBondContact O-CG 3.47Å; E1006-L1010 PolarHBondContact O-N 2.73Å |
| 1007 | T | 71.8 | Confident | 77.3 | Confident | 70 Ų | 70 | 76.1 Ų | 76.1 | 43% | 0.429 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.7 | -36.6 | 176.3 | 51.6 | 0 | 0 | 0 | 0 | 113.5 | C1005 A1011 N1067 | C1005-T1007 PolarHBondContact O-N 2.81Å; T1007-A1011 PolarHBondContact O-N 3.36Å; T1007-N1067 PolarHBondContact OG1-ND2 3.32Å |
| 1008 | I | 77.1 | Confident | 77 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.7 | -50.8 | 173.6 | -61.6 | 171.6 | 0 | 0 | 0 | 108.8 | I996 F1000 C1005 E1006 L1010 A1011 E1012 L1060 T1063 V1064 N1067 | I996-I1008 HydrophobicContact CG2-CG2 3.92Å; F1000-I1008 HydrophobicContact CD1-CD1 4.06Å; F1000-I1008 HydrophobicContact CD2-CD1 4.28Å; F1000-I1008 HydrophobicContact CE1-CD1 3.9Å; F1000-I1008 HydrophobicContact CE2-CD1 4.15Å; F1000-I1008 HydrophobicContact CG-CD1 4.25Å; F1000-I1008 HydrophobicContact CZ-CD1 3.95Å; C1005-I1008 HydrophobicContact CB-CD1 4.49Å; C1005-I1008 WeakPolarHBondContact O-CA 3.16Å; C1005-I1008 WeakPolarHBondContact O-CB 3.2Å; C1005-I1008 PolarHBondContact O-N 2.59Å; E1006-I1008 PolarHBondContact O-N 3.27Å; I1008-L1010 VanDerWaalsContact C-N 3.25Å; I1008-L1010 PolarHBondContact O-N 2.92Å; I1008-A1011 CarbonylContact O-C 3.36Å; I1008-A1011 WeakPolarHBondContact O-CA 2.98Å; I1008-A1011 WeakPolarHBondContact O-CB 3.37Å; I1008-A1011 PolarHBondContact O-N 3.3Å; I1008-E1012 HydrophobicContact CG2-CG 4.35Å; I1008-E1012 WeakPolarHBondContact O-CG 3.48Å; I1008-E1012 PolarHBondContact O-N 2.78Å; I1008-L1060 HydrophobicContact CG2-CD1 4.17Å; I1008-T1063 HydrophobicContact CG1-CG2 4.3Å; I1008-V1064 HydrophobicContact CD1-CG2 4.35Å; I1008-V1064 HydrophobicContact CG1-CG2 4.35Å; I1008-V1064 HydrophobicContact CG2-CG2 4.22Å; I1008-N1067 HydrophobicContact CD1-CB 4.1Å |
| 1009 | L | 77.2 | Confident | 77.2 | Confident | 70 Ų | 70 | 66.6 Ų | 66.6 | 37% | 0.366 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.4 | -34.6 | 179.4 | -64.2 | 173.5 | 0 | 0 | 0 | 112.9 | A1004 C1005 E1006 R1013 | A1004-L1009 HydrophobicContact CB-CD2 4.11Å; A1004-L1009 HydrophobicContact CB-CG 4.26Å; C1005-L1009 PolarHBondContact O-N 3.38Å; C1005-L1009 VanDerWaalsContact O-N 3.17Å; E1006-L1009 PolarHBondContact O-N 2.66Å; L1009-R1013 VanDerWaalsContact O-CG 3.26Å; L1009-R1013 WeakPolarHBondContact O-CG 3.39Å; L1009-R1013 PolarHBondContact O-N 2.96Å |
| 1010 | L | 69.2 | Low | 77.1 | Confident | 86 Ų | 86 | 66.4 Ų | 66.4 | 45% | 0.45 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69.2 | -40.5 | 173.2 | -74 | 169.4 | 0 | 0 | 0 | 112.4 | E1006 I1008 R1013 Q1014 | E1006-L1010 HydrophobicContact CG-CD1 4.04Å; E1006-L1010 HydrophobicContact CG-CG 4.37Å; E1006-L1010 WeakPolarHBondContact O-CB 3.39Å; E1006-L1010 VanDerWaalsContact O-CG 3.25Å; E1006-L1010 WeakPolarHBondContact O-CG 3.47Å; E1006-L1010 PolarHBondContact O-N 2.73Å; I1008-L1010 VanDerWaalsContact C-N 3.25Å; I1008-L1010 PolarHBondContact O-N 2.92Å; L1010-R1013 PolarHBondContact O-N 3.18Å; L1010-Q1014 PolarHBondContact O-N 3.39Å |
| 1011 | A | 71.1 | Confident | 76.9 | Confident | 11 Ų | 11 | 65.6 Ų | 65.6 | 9% | 0.091 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.3 | -35 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T1007 I1008 Q1014 L1015 L1060 T1063 | T1007-A1011 PolarHBondContact O-N 3.36Å; I1008-A1011 CarbonylContact O-C 3.36Å; I1008-A1011 WeakPolarHBondContact O-CA 2.98Å; I1008-A1011 WeakPolarHBondContact O-CB 3.37Å; I1008-A1011 PolarHBondContact O-N 3.3Å; A1011-Q1014 PolarHBondContact O-N 3.47Å; A1011-L1015 PolarHBondContact O-N 3.36Å; A1011-L1060 HydrophobicContact CB-CB 4.24Å; A1011-L1060 HydrophobicContact CB-CD1 3.64Å; A1011-T1063 HydrophobicContact CB-CG2 4.42Å |
| 1012 | E | 84 | Confident | 77.3 | Confident | 28 Ų | 28 | 64.3 Ų | 64.3 | 13% | 0.131 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66 | -39.9 | 171.7 | -66.4 | -169 | 140.9 | 0 | 0 | 112.3 | F993 I1008 L1015 N1016 L1060 | F993-E1012 HydrophobicContact CD1-CB 4.3Å; F993-E1012 HydrophobicContact CD1-CG 3.84Å; F993-E1012 WeakPolarHBondContact CD1-OE1 3.38Å; F993-E1012 HydrophobicContact CE1-CB 3.74Å; F993-E1012 HydrophobicContact CE1-CG 3.67Å; F993-E1012 HydrophobicContact CZ-CB 4.35Å; I1008-E1012 HydrophobicContact CG2-CG 4.35Å; I1008-E1012 WeakPolarHBondContact O-CG 3.48Å; I1008-E1012 PolarHBondContact O-N 2.78Å; E1012-L1015 PolarHBondContact O-N 2.7Å; E1012-N1016 WeakPolarHBondContact O-CB 3.37Å; E1012-N1016 PolarHBondContact O-N 2.91Å; E1012-N1016 PolarHBondContact O-ND2 3.29Å; E1012-L1060 HydrophobicContact CG-CD1 3.76Å; E1012-L1060 HydrophobicContact CG-CD2 4.04Å |
| 1013 | R | 79.7 | Confident | 78 | Confident | 176 Ų | 176 | 60 Ų | 60 | 66% | 0.664 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62 | -41.3 | 172.3 | -75.1 | 170.7 | -175.2 | -179.5 | 4.3 | 111.9 | L1009 L1010 N1016 S1017 | L1009-R1013 VanDerWaalsContact O-CG 3.26Å; L1009-R1013 WeakPolarHBondContact O-CG 3.39Å; L1009-R1013 PolarHBondContact O-N 2.96Å; L1010-R1013 PolarHBondContact O-N 3.18Å; R1013-N1016 PolarHBondContact O-N 3.26Å; R1013-S1017 WeakPolarHBondContact O-CB 3.49Å; R1013-S1017 PolarHBondContact O-N 3.46Å |
| 1014 | Q | 76.1 | Confident | 78.7 | Confident | 82 Ų | 82 | 54 Ų | 54 | 38% | 0.383 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.9 | -50.1 | 175.8 | -174.8 | 174.2 | -36.7 | 0 | 0 | 111.2 | L1010 A1011 N1016 S1017 S1018 D1056 | L1010-Q1014 PolarHBondContact O-N 3.39Å; A1011-Q1014 PolarHBondContact O-N 3.47Å; Q1014-N1016 VanDerWaalsContact C-N 3.34Å; Q1014-N1016 PolarHBondContact O-N 3.35Å; Q1014-S1017 WeakPolarHBondContact O-CB 3.47Å; Q1014-S1017 PolarHBondContact O-N 2.79Å; Q1014-S1017 VanDerWaalsContact O-N 3.08Å; Q1014-S1018 PolarHBondContact O-N 3.01Å; Q1014-D1056 PolarHBondContact NE2-OD1 3.37Å |
| 1015 | L | 78.8 | Confident | 79.2 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61 | -39.5 | 177.5 | -177.7 | 58.9 | 0 | 0 | 0 | 112.6 | I989 L992 F993 A1011 E1012 M1019 I1053 D1056 A1057 L1060 | I989-L1015 HydrophobicContact CD1-CD1 4.34Å; I989-L1015 HydrophobicContact CG2-CD2 4.01Å; I989-L1015 HydrophobicContact CG2-CG 4.18Å; L992-L1015 HydrophobicContact CD2-CD2 4.04Å; F993-L1015 HydrophobicContact CE1-CD2 3.88Å; F993-L1015 HydrophobicContact CZ-CB 4.29Å; F993-L1015 HydrophobicContact CZ-CD2 3.95Å; F993-L1015 HydrophobicContact CZ-CG 4.18Å; A1011-L1015 PolarHBondContact O-N 3.36Å; E1012-L1015 PolarHBondContact O-N 2.7Å; L1015-M1019 PolarHBondContact O-N 2.9Å; L1015-I1053 HydrophobicContact CD1-CB 4.45Å; L1015-I1053 HydrophobicContact CD1-CG2 3.8Å; L1015-I1053 WeakPolarHBondContact CD1-O 3.39Å; L1015-D1056 HydrophobicContact CB-CB 4.29Å; L1015-D1056 HydrophobicContact CD1-CB 3.79Å; L1015-A1057 HydrophobicContact CD1-CB 4.18Å; L1015-A1057 HydrophobicContact CD2-CB 4.23Å; L1015-L1060 HydrophobicContact CD2-CD2 3.75Å |
| 1016 | N | 86 | Confident | 79.6 | Confident | 80 Ų | 80 | 52.3 Ų | 52.3 | 43% | 0.428 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.6 | -37.9 | 173.3 | -83.3 | -67.5 | 0 | 0 | 0 | 112.7 | F993 E1012 R1013 Q1014 M1019 Y1020 | F993-N1016 WeakPolarHBondContact CE2-ND2 3.35Å; F993-N1016 WeakPolarHBondContact CZ-ND2 3.38Å; E1012-N1016 WeakPolarHBondContact O-CB 3.37Å; E1012-N1016 PolarHBondContact O-N 2.91Å; E1012-N1016 PolarHBondContact O-ND2 3.29Å; R1013-N1016 PolarHBondContact O-N 3.26Å; Q1014-N1016 VanDerWaalsContact C-N 3.34Å; Q1014-N1016 PolarHBondContact O-N 3.35Å; N1016-M1019 PolarHBondContact O-N 2.9Å; N1016-Y1020 WeakPolarHBondContact O-CB 3.49Å; N1016-Y1020 PolarHBondContact O-N 2.79Å |
| 1017 | S | 79.9 | Confident | 79.5 | Confident | 63 Ų | 63 | 51.6 Ų | 51.6 | 44% | 0.441 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.2 | -43.9 | 177.6 | -169.5 | 0 | 0 | 0 | 0 | 112.1 | R1013 Q1014 M1019 Y1020 S1021 | R1013-S1017 WeakPolarHBondContact O-CB 3.49Å; R1013-S1017 PolarHBondContact O-N 3.46Å; Q1014-S1017 WeakPolarHBondContact O-CB 3.47Å; Q1014-S1017 PolarHBondContact O-N 2.79Å; Q1014-S1017 VanDerWaalsContact O-N 3.08Å; S1017-M1019 PolarHBondContact O-N 2.68Å; S1017-Y1020 PolarHBondContact O-N 3.07Å; S1017-S1021 WeakPolarHBondContact O-CB 3.39Å; S1017-S1021 PolarHBondContact O-N 3.29Å; S1017-S1021 PolarHBondContact O-OG 2.74Å |
| 1018 | S | 81 | Confident | 79.2 | Confident | 24 Ų | 24 | 51.5 Ų | 51.5 | 17% | 0.168 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.5 | -40 | 173.9 | -68.4 | 0 | 0 | 0 | 0 | 112.1 | Q1014 S1021 L1022 D1056 | Q1014-S1018 PolarHBondContact O-N 3.01Å; S1018-S1021 PolarHBondContact O-N 3.12Å; S1018-L1022 PolarHBondContact O-N 3.38Å; S1018-D1056 WeakPolarHBondContact CB-OD2 3.31Å; S1018-D1056 PolarHBondContact OG-OD2 3.05Å |
| 1019 | M | 89.8 | Confident | 78.2 | Confident | 15 Ų | 15 | 52.2 Ų | 52.2 | 7% | 0.074 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.1 | -41 | 173.2 | -172.6 | 62.5 | -163.7 | 0 | 0 | 112.6 | I982 I985 I989 L1015 N1016 S1017 L1022 I1023 I1053 | I982-M1019 HydrophobicContact CG2-CE 3.92Å; I982-M1019 WeakPolarHBondContact O-CE 3.21Å; I985-M1019 HydrophobicContact CB-CE 4.49Å; I985-M1019 HydrophobicContact CB-SD 4.41Å; I985-M1019 HydrophobicContact CG2-SD 3.9Å; I989-M1019 HydrophobicContact CD1-CB 3.84Å; I989-M1019 HydrophobicContact CD1-CG 3.79Å; I989-M1019 HydrophobicContact CD1-SD 3.63Å; L1015-M1019 PolarHBondContact O-N 2.9Å; N1016-M1019 PolarHBondContact O-N 2.9Å; S1017-M1019 PolarHBondContact O-N 2.68Å; M1019-L1022 PolarHBondContact O-N 2.81Å; M1019-I1023 HydrophobicContact CE-CD1 3.78Å; M1019-I1023 HydrophobicContact CE-CG1 3.89Å; M1019-I1023 HydrophobicContact CG-CD1 4.05Å; M1019-I1023 VanDerWaalsContact O-CG1 3.28Å; M1019-I1023 WeakPolarHBondContact O-CG1 3.19Å; M1019-I1023 PolarHBondContact O-N 3.23Å; M1019-I1053 HydrophobicContact CB-CD1 4.29Å; M1019-I1053 HydrophobicContact SD-CD1 3.7Å |
| 1020 | Y | 83 | Confident | 77 | Confident | 83 Ų | 83 | 57.1 Ų | 57.1 | 33% | 0.325 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 176 | -174.4 | -83.2 | 0 | 0 | 0 | 111.3 | T208 N1016 S1017 L1022 I1023 T1024 | T208-Y1020 HydrophobicContact CG2-CD1 3.69Å; T208-Y1020 HydrophobicContact CG2-CE1 3.21Å; T208-Y1020 HydrophobicContact CG2-CE2 4.15Å; T208-Y1020 HydrophobicContact CG2-CG 4.35Å; T208-Y1020 VanDerWaalsContact CG2-CZ 3.48Å; N1016-Y1020 WeakPolarHBondContact O-CB 3.49Å; N1016-Y1020 PolarHBondContact O-N 2.79Å; S1017-Y1020 PolarHBondContact O-N 3.07Å; Y1020-L1022 VanDerWaalsContact C-N 3.32Å; Y1020-L1022 PolarHBondContact O-N 3.03Å; Y1020-I1023 CarbonylContact O-C 3.52Å; Y1020-I1023 WeakPolarHBondContact O-CA 3.38Å; Y1020-I1023 WeakPolarHBondContact O-CB 3.45Å; Y1020-I1023 PolarHBondContact O-N 3.43Å; Y1020-T1024 HydrophobicContact CD1-CG2 3.95Å; Y1020-T1024 HydrophobicContact CE1-CG2 3.26Å; Y1020-T1024 PolarHBondContact O-N 2.98Å; Y1020-T1024 PolarHBondContact O-OG1 3.01Å |
| 1021 | S | 79.5 | Confident | 76.1 | Confident | 20 Ų | 20 | 60.6 Ų | 60.6 | 14% | 0.14 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.5 | -38.8 | 178.3 | -58.9 | 0 | 0 | 0 | 0 | 112.2 | S1017 S1018 T1024 T1025 | S1017-S1021 WeakPolarHBondContact O-CB 3.39Å; S1017-S1021 PolarHBondContact O-N 3.29Å; S1017-S1021 PolarHBondContact O-OG 2.74Å; S1018-S1021 PolarHBondContact O-N 3.12Å; S1021-T1024 PolarHBondContact O-OG1 3.39Å; S1021-T1025 WeakPolarHBondContact O-CB 3.4Å; S1021-T1025 PolarHBondContact O-N 3.4Å; S1021-T1025 PolarHBondContact O-OG1 3.24Å; S1021-T1025 VanDerWaalsContact O-OG1 3.1Å |
| 1022 | L | 85.6 | Confident | 75.2 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 171.2 | -176.8 | 63.4 | 0 | 0 | 0 | 111.7 | I982 I985 S1018 M1019 Y1020 T1026 L1046 L1049 A1050 I1053 | I982-L1022 HydrophobicContact CD1-CD1 3.86Å; I982-L1022 HydrophobicContact CD1-CD2 4.3Å; I982-L1022 HydrophobicContact CD1-CG 3.99Å; I982-L1022 HydrophobicContact CG1-CD2 4.15Å; I982-L1022 HydrophobicContact CG1-CG 4.34Å; I982-L1022 HydrophobicContact CG2-CD2 3.74Å; I982-L1022 HydrophobicContact CG2-CG 3.84Å; I985-L1022 HydrophobicContact CD1-CD2 3.9Å; S1018-L1022 PolarHBondContact O-N 3.38Å; M1019-L1022 PolarHBondContact O-N 2.81Å; Y1020-L1022 VanDerWaalsContact C-N 3.32Å; Y1020-L1022 PolarHBondContact O-N 3.03Å; L1022-T1026 WeakPolarHBondContact O-CB 3.34Å; L1022-T1026 PolarHBondContact O-N 3.48Å; L1022-T1026 PolarHBondContact O-OG1 2.94Å; L1022-L1046 HydrophobicContact CD1-CD2 3.72Å; L1022-L1049 HydrophobicContact CB-CB 4.26Å; L1022-L1049 HydrophobicContact CD1-CB 3.81Å; L1022-A1050 HydrophobicContact CD1-CB 4.49Å; L1022-A1050 HydrophobicContact CD2-CB 4.26Å; L1022-I1053 HydrophobicContact CB-CD1 4.06Å; L1022-I1053 HydrophobicContact CD2-CD1 3.48Å; L1022-I1053 VanDerWaalsContact CD2-CD1 3.48Å; L1022-I1053 HydrophobicContact CG-CD1 4.41Å |
| 1023 | I | 84.1 | Confident | 73.7 | Confident | 59 Ų | 59 | 72.1 Ų | 72.1 | 30% | 0.303 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 179.3 | -70.7 | 165.1 | 0 | 0 | 0 | 112.4 | M1019 Y1020 T1026 K1027 | M1019-I1023 HydrophobicContact CE-CD1 3.78Å; M1019-I1023 HydrophobicContact CE-CG1 3.89Å; M1019-I1023 HydrophobicContact CG-CD1 4.05Å; M1019-I1023 VanDerWaalsContact O-CG1 3.28Å; M1019-I1023 WeakPolarHBondContact O-CG1 3.19Å; M1019-I1023 PolarHBondContact O-N 3.23Å; Y1020-I1023 CarbonylContact O-C 3.52Å; Y1020-I1023 WeakPolarHBondContact O-CA 3.38Å; Y1020-I1023 WeakPolarHBondContact O-CB 3.45Å; Y1020-I1023 PolarHBondContact O-N 3.43Å; I1023-T1026 PolarHBondContact O-N 3.17Å; I1023-K1027 HydrophobicContact CG2-CD 4.27Å; I1023-K1027 WeakPolarHBondContact O-CG 3.23Å; I1023-K1027 PolarHBondContact O-N 2.9Å |
| 1024 | T | 80.6 | Confident | 72.5 | Confident | 43 Ų | 43 | 65.5 Ų | 65.5 | 26% | 0.264 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.7 | -48.2 | 179.2 | 42.3 | 0 | 0 | 0 | 0 | 111.7 | Y1020 S1021 T1026 K1027 S1028 | Y1020-T1024 HydrophobicContact CD1-CG2 3.95Å; Y1020-T1024 HydrophobicContact CE1-CG2 3.26Å; Y1020-T1024 PolarHBondContact O-N 2.98Å; Y1020-T1024 PolarHBondContact O-OG1 3.01Å; S1021-T1024 PolarHBondContact O-OG1 3.39Å; T1024-T1026 PolarHBondContact O-N 3.04Å; T1024-K1027 WeakPolarHBondContact O-CB 3.35Å; T1024-K1027 PolarHBondContact O-N 3.5Å; T1024-S1028 PolarHBondContact O-N 3.37Å; T1024-S1028 PolarHBondContact O-OG 2.63Å |
| 1025 | T | 80.4 | Confident | 71.5 | Confident | 23 Ų | 23 | 71.7 Ų | 71.7 | 14% | 0.141 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -51.6 | -46.8 | 172.4 | -64.2 | 0 | 0 | 0 | 0 | 110.8 | S1021 K1027 S1028 Y1042 L1046 L1049 | S1021-T1025 WeakPolarHBondContact O-CB 3.4Å; S1021-T1025 PolarHBondContact O-N 3.4Å; S1021-T1025 PolarHBondContact O-OG1 3.24Å; S1021-T1025 VanDerWaalsContact O-OG1 3.1Å; T1025-K1027 VanDerWaalsContact C-N 3.32Å; T1025-K1027 PolarHBondContact O-N 2.89Å; T1025-S1028 WeakPolarHBondContact O-CB 3.4Å; T1025-S1028 PolarHBondContact O-N 2.75Å; T1025-S1028 VanDerWaalsContact O-N 3.13Å; T1025-Y1042 HydrophobicContact CG2-CD2 4.48Å; T1025-Y1042 HydrophobicContact CG2-CE2 3.62Å; T1025-Y1042 PolarHBondContact O-OH 2.92Å; T1025-L1046 HydrophobicContact CG2-CD2 3.65Å; T1025-L1046 HydrophobicContact CG2-CG 4.19Å; T1025-L1049 HydrophobicContact CG2-CD1 4.04Å; T1025-L1049 WeakPolarHBondContact OG1-CD1 3.33Å |
| 1026 | T | 82.3 | Confident | 70.9 | Confident | 17 Ų | 17 | 74.1 Ų | 74.1 | 10% | 0.104 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.2 | -34.6 | 176.9 | -56.1 | 0 | 0 | 0 | 0 | 113.9 | I982 L1022 I1023 T1024 Y1042 L1046 | I982-T1026 HydrophobicContact CD1-CG2 4.04Å; I982-T1026 WeakPolarHBondContact CD1-OG1 3.43Å; L1022-T1026 WeakPolarHBondContact O-CB 3.34Å; L1022-T1026 PolarHBondContact O-N 3.48Å; L1022-T1026 PolarHBondContact O-OG1 2.94Å; I1023-T1026 PolarHBondContact O-N 3.17Å; T1024-T1026 PolarHBondContact O-N 3.04Å; T1026-Y1042 WeakPolarHBondContact CA-OH 3.41Å; T1026-L1046 WeakPolarHBondContact OG1-CD2 3.38Å |
| 1027 | K | 72.5 | Confident | 69.6 | Low | 134 Ų | 134 | 75.2 Ų | 75.2 | 58% | 0.583 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -71 | -38 | 175.5 | -72.9 | 169.1 | -179.9 | 174.7 | 0 | 111.7 | I1023 T1024 T1025 A1029 K1030 | I1023-K1027 HydrophobicContact CG2-CD 4.27Å; I1023-K1027 WeakPolarHBondContact O-CG 3.23Å; I1023-K1027 PolarHBondContact O-N 2.9Å; T1024-K1027 WeakPolarHBondContact O-CB 3.35Å; T1024-K1027 PolarHBondContact O-N 3.5Å; T1025-K1027 VanDerWaalsContact C-N 3.32Å; T1025-K1027 PolarHBondContact O-N 2.89Å; K1027-A1029 PolarHBondContact O-N 2.9Å; K1027-K1030 PolarHBondContact O-N 3.31Å; K1027-K1030 VanDerWaalsContact O-N 3.09Å |
| 1028 | S | 65.4 | Low | 68.7 | Low | 67 Ų | 67 | 77.2 Ų | 77.2 | 47% | 0.469 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.3 | -30.3 | 179.9 | -57.8 | 0 | 0 | 0 | 0 | 113.2 | T1024 T1025 K1030 L1031 | T1024-S1028 PolarHBondContact O-N 3.37Å; T1024-S1028 PolarHBondContact O-OG 2.63Å; T1025-S1028 WeakPolarHBondContact O-CB 3.4Å; T1025-S1028 PolarHBondContact O-N 2.75Å; T1025-S1028 VanDerWaalsContact O-N 3.13Å; S1028-K1030 PolarHBondContact O-N 3.23Å; S1028-K1030 VanDerWaalsContact O-N 3.1Å; S1028-L1031 PolarHBondContact O-N 3.11Å |
| 1029 | A | 56.6 | Low | 68.2 | Low | 16 Ų | 16 | 77.5 Ų | 77.5 | 13% | 0.132 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -24.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K1027 L1031 Y1042 | K1027-A1029 PolarHBondContact O-N 2.9Å; A1029-L1031 VanDerWaalsContact C-N 3.29Å; A1029-L1031 PolarHBondContact O-N 3.04Å; A1029-Y1042 HydrophobicContact CB-CE1 3.89Å; A1029-Y1042 HydrophobicContact CB-CE2 4.43Å; A1029-Y1042 WeakPolarHBondContact CB-OH 3.08Å |
| 1030 | K | 52.1 | Low | 67.2 | Low | 173 Ų | 173 | 79.9 Ų | 79.9 | 75% | 0.752 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -8 | 178.1 | -72 | -164.7 | 170.9 | -168.4 | 0 | 114.3 | K1027 S1028 | K1027-K1030 PolarHBondContact O-N 3.31Å; K1027-K1030 VanDerWaalsContact O-N 3.09Å; S1028-K1030 PolarHBondContact O-N 3.23Å; S1028-K1030 VanDerWaalsContact O-N 3.1Å |
| 1031 | L | 50.3 | Low | 66.5 | Low | 159 Ų | 159 | 80.9 Ų | 80.9 | 83% | 0.832 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | -10.5 | -176.9 | -75.5 | 164.8 | 0 | 0 | 0 | 114 | S1028 A1029 | S1028-L1031 PolarHBondContact O-N 3.11Å; A1029-L1031 VanDerWaalsContact C-N 3.29Å; A1029-L1031 PolarHBondContact O-N 3.04Å |
| 1032 | Q | 51.5 | Low | 66.5 | Low | 129 Ų | 129 | 81.3 Ų | 81.3 | 60% | 0.603 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -124.4 | 133.4 | -179.3 | -65.2 | -176.4 | -17.8 | 0 | 0 | 111.4 | N1034 | Q1032-N1034 WeakPolarHBondContact CB-OD1 3.11Å; Q1032-N1034 PolarHBondContact O-N 2.85Å; Q1032-N1034 PolarHBondContact OE1-ND2 3.47Å |
| 1033 | N | 53.2 | Low | 66.3 | Low | 152 Ų | 152 | 83.3 Ų | 83.3 | 81% | 0.813 | 43% | 0.426 | S | S | * | . | trans | -81 | 52.7 | -174.3 | -126.9 | -27.6 | 0 | 0 | 0 | 111.2 | R1035 | N1033-R1035 PolarHBondContact O-N 3.15Š| ||
| 1034 | N | 54.6 | Low | 66.1 | Low | 37 Ų | 37 | 86.3 Ų | 86.3 | 20% | 0.198 | 43% | 0.434 | C | S | . | . | trans | -69 | 102.1 | -163.7 | -73.8 | -12 | 0 | 0 | 0 | 112.3 | Q1032 L1039 | Q1032-N1034 WeakPolarHBondContact CB-OD1 3.11Å; Q1032-N1034 PolarHBondContact O-N 2.85Å; Q1032-N1034 PolarHBondContact OE1-ND2 3.47Å; N1034-L1039 HydrophobicContact CB-CB 4.44Å | ||
| 1035 | R | 54.6 | Low | 66.2 | Low | 212 Ų | 212 | 89 Ų | 89 | 80% | 0.8 | 44% | 0.443 | S | S | * | . | trans | -118.8 | 147.9 | 172.8 | -64.3 | -177.9 | 178.7 | -166.6 | -1.3 | 109.6 | N1033 | N1033-R1035 PolarHBondContact O-N 3.15Š| ||
| 1036 | G | 66 | Low | 66.2 | Low | 51 Ų | 51 | 87.9 Ų | 87.9 | 53% | 0.526 | 44% | 0.436 | S | S | . | . | S | Bend | trans | 75.3 | -152.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1038 L1039 | G1036-L1038 VanDerWaalsContact C-N 3.29Å; G1036-L1038 PolarHBondContact O-N 3.48Å; G1036-L1039 WeakPolarHBondContact O-CB 3.22Å; G1036-L1039 PolarHBondContact O-N 3.46Å; G1036-L1039 VanDerWaalsContact O-N 3.07Å |
| 1037 | P | 59.3 | Low | 66.1 | Low | 103 Ų | 103 | 88.4 Ų | 88.4 | 67% | 0.669 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61.3 | -31.2 | -164.1 | 22.4 | -33.4 | 0 | 0 | 0 | 114.6 | L1039 E1040 E1041 | P1037-L1039 PolarHBondContact O-N 2.92Å; P1037-E1040 PolarHBondContact O-N 2.83Å; P1037-E1041 PolarHBondContact O-N 3.16Å; P1037-E1041 VanDerWaalsContact O-N 3.15Å |
| 1038 | L | 60.5 | Low | 66.4 | Low | 105 Ų | 105 | 85.2 Ų | 85.2 | 55% | 0.55 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.1 | -32 | 176.8 | -67.3 | 170.1 | 0 | 0 | 0 | 112.9 | G1036 E1040 Y1042 | G1036-L1038 VanDerWaalsContact C-N 3.29Å; G1036-L1038 PolarHBondContact O-N 3.48Å; L1038-E1040 VanDerWaalsContact C-N 3.3Å; L1038-E1040 PolarHBondContact O-N 3Å; L1038-Y1042 VanDerWaalsContact O-CB 3.29Å; L1038-Y1042 WeakPolarHBondContact O-CB 3.47Å; L1038-Y1042 PolarHBondContact O-N 2.91Å |
| 1039 | L | 70.1 | Confident | 67.1 | Low | 29 Ų | 29 | 83.5 Ų | 83.5 | 15% | 0.152 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -68.2 | -32 | 175.5 | 180 | 59.6 | 0 | 0 | 0 | 111.8 | P975 N1034 G1036 P1037 Y1042 R1043 | P975-L1039 HydrophobicContact CG-CD1 3.95Å; N1034-L1039 HydrophobicContact CB-CB 4.44Å; G1036-L1039 WeakPolarHBondContact O-CB 3.22Å; G1036-L1039 PolarHBondContact O-N 3.46Å; G1036-L1039 VanDerWaalsContact O-N 3.07Å; P1037-L1039 PolarHBondContact O-N 2.92Å; L1039-Y1042 HydrophobicContact CD1-CD1 4.32Å; L1039-R1043 WeakPolarHBondContact O-CB 3.3Å; L1039-R1043 WeakPolarHBondContact O-CD 3.3Å; L1039-R1043 VanDerWaalsContact O-CG 3.25Å; L1039-R1043 WeakPolarHBondContact O-CG 3.23Å; L1039-R1043 PolarHBondContact O-N 2.85Å |
| 1040 | E | 70.1 | Confident | 68.2 | Low | 65 Ų | 65 | 82.8 Ų | 82.8 | 30% | 0.304 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -82.5 | -27 | -178 | -158.2 | 55.7 | -137.9 | 0 | 0 | 112.5 | P1037 L1038 R1043 R1044 | P1037-E1040 PolarHBondContact O-N 2.83Å; L1038-E1040 VanDerWaalsContact C-N 3.3Å; L1038-E1040 PolarHBondContact O-N 3Å; E1040-R1043 WeakPolarHBondContact OE2-CD 3.49Å; E1040-R1043 IonicContact OE2-CZ 3.58Å; E1040-R1043 IonicContact OE2-NE 3.95Å; E1040-R1043 IonicContact OE2-NH1 2.72Å; E1040-R1043 PolarHBondContact OE2-NH1 2.98Å; E1040-R1044 WeakPolarHBondContact O-CG 3.37Å; E1040-R1044 PolarHBondContact O-N 3.23Å; E1040-R1044 VanDerWaalsContact O-N 3.13Å; E1040-R1044 PolarHBondContact O-NE 3.29Å |
| 1041 | E | 67.8 | Low | 69.3 | Low | 105 Ų | 105 | 79.7 Ų | 79.7 | 49% | 0.491 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.2 | -45.6 | 165.5 | -70.7 | -177.1 | 152 | 0 | 0 | 111.1 | P1037 R1043 R1044 H1045 | P1037-E1041 PolarHBondContact O-N 3.16Å; P1037-E1041 VanDerWaalsContact O-N 3.15Å; E1041-R1043 VanDerWaalsContact C-N 3.35Å; E1041-R1043 PolarHBondContact O-N 2.89Å; E1041-R1044 WeakPolarHBondContact O-CB 3.49Å; E1041-R1044 PolarHBondContact O-N 3.26Å; E1041-H1045 PolarHBondContact O-N 3.19Å |
| 1042 | Y | 78.7 | Confident | 70.5 | Confident | 29 Ų | 29 | 73.7 Ų | 73.7 | 11% | 0.114 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60 | -41.4 | 175.4 | 177 | -96.8 | 0 | 0 | 0 | 112.7 | Y978 T1025 T1026 A1029 L1038 L1039 H1045 L1046 | Y978-Y1042 HydrophobicContact CD2-CE1 4.12Å; Y978-Y1042 HydrophobicContact CE2-CE1 4.1Å; T1025-Y1042 HydrophobicContact CG2-CD2 4.48Å; T1025-Y1042 HydrophobicContact CG2-CE2 3.62Å; T1025-Y1042 PolarHBondContact O-OH 2.92Å; T1026-Y1042 WeakPolarHBondContact CA-OH 3.41Å; A1029-Y1042 HydrophobicContact CB-CE1 3.89Å; A1029-Y1042 HydrophobicContact CB-CE2 4.43Å; A1029-Y1042 WeakPolarHBondContact CB-OH 3.08Å; L1038-Y1042 VanDerWaalsContact O-CB 3.29Å; L1038-Y1042 WeakPolarHBondContact O-CB 3.47Å; L1038-Y1042 PolarHBondContact O-N 2.91Å; L1039-Y1042 HydrophobicContact CD1-CD1 4.32Å; Y1042-H1045 PolarHBondContact O-N 3.25Å; Y1042-L1046 HydrophobicContact CD1-CD1 4.21Å; Y1042-L1046 HydrophobicContact CE1-CD1 3.37Å; Y1042-L1046 HydrophobicContact CE1-CG 3.85Å; Y1042-L1046 HydrophobicContact CE2-CG 4.41Å; Y1042-L1046 PolarHBondContact O-N 3.44Å; Y1042-L1046 WeakPolarHBondContact OH-CD1 3.45Å |
| 1043 | R | 82.6 | Confident | 71.8 | Confident | 42 Ų | 42 | 67.6 Ų | 67.6 | 16% | 0.158 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 171.8 | -78.6 | 162.4 | 168 | -169.5 | -12.8 | 112.8 | I970 I971 S973 Y978 L1039 E1040 E1041 H1045 L1046 M1047 | I970-R1043 HydrophobicContact CG2-CB 4.49Å; I970-R1043 HydrophobicContact CG2-CG 4.21Å; I971-R1043 PolarHBondContact O-NH2 3.35Å; S973-R1043 PolarHBondContact O-NH2 3.47Å; Y978-R1043 WeakPolarHBondContact OH-CG 3.38Å; Y978-R1043 PolarHBondContact OH-NE 3.22Å; L1039-R1043 WeakPolarHBondContact O-CB 3.3Å; L1039-R1043 WeakPolarHBondContact O-CD 3.3Å; L1039-R1043 VanDerWaalsContact O-CG 3.25Å; L1039-R1043 WeakPolarHBondContact O-CG 3.23Å; L1039-R1043 PolarHBondContact O-N 2.85Å; E1040-R1043 WeakPolarHBondContact OE2-CD 3.49Å; E1040-R1043 IonicContact OE2-CZ 3.58Å; E1040-R1043 IonicContact OE2-NE 3.95Å; E1040-R1043 IonicContact OE2-NH1 2.72Å; E1040-R1043 PolarHBondContact OE2-NH1 2.98Å; E1041-R1043 VanDerWaalsContact C-N 3.35Å; E1041-R1043 PolarHBondContact O-N 2.89Å; R1043-H1045 VanDerWaalsContact C-N 3.3Å; R1043-H1045 PolarHBondContact O-N 3.12Å; R1043-L1046 PolarHBondContact O-N 3.46Å; R1043-M1047 HydrophobicContact CB-CE 4.39Å; R1043-M1047 WeakPolarHBondContact O-CG 3.46Å; R1043-M1047 PolarHBondContact O-N 3.34Å |
| 1044 | R | 78.6 | Confident | 73 | Confident | 122 Ų | 122 | 61 Ų | 61 | 46% | 0.46 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.6 | -41 | 174.8 | -81.7 | 176.5 | -83 | 145.6 | -13 | 111.7 | E1040 E1041 M1047 S1048 | E1040-R1044 WeakPolarHBondContact O-CG 3.37Å; E1040-R1044 PolarHBondContact O-N 3.23Å; E1040-R1044 VanDerWaalsContact O-N 3.13Å; E1040-R1044 PolarHBondContact O-NE 3.29Å; E1041-R1044 WeakPolarHBondContact O-CB 3.49Å; E1041-R1044 PolarHBondContact O-N 3.26Å; R1044-M1047 PolarHBondContact O-N 3.1Å; R1044-S1048 WeakPolarHBondContact O-CB 3.4Å; R1044-S1048 PolarHBondContact O-N 3.07Å |
| 1045 | H | 82.4 | Confident | 73.8 | Confident | 98 Ų | 98 | 62.1 Ų | 62.1 | 45% | 0.454 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.7 | -46.6 | 176.7 | -171.4 | 57.7 | 0 | 0 | 0 | 112.4 | E1041 Y1042 R1043 M1047 S1048 L1049 | E1041-H1045 PolarHBondContact O-N 3.19Å; Y1042-H1045 PolarHBondContact O-N 3.25Å; R1043-H1045 VanDerWaalsContact C-N 3.3Å; R1043-H1045 PolarHBondContact O-N 3.12Å; H1045-M1047 VanDerWaalsContact C-N 3.35Å; H1045-M1047 PolarHBondContact O-N 3.31Å; H1045-S1048 WeakPolarHBondContact O-CB 3.48Å; H1045-S1048 PolarHBondContact O-N 3.43Å; H1045-L1049 WeakPolarHBondContact O-CG 3.41Å; H1045-L1049 PolarHBondContact O-N 2.92Å |
| 1046 | L | 81.5 | Confident | 74.8 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.4 | -45.3 | 172.9 | -83.5 | -177.3 | 0 | 0 | 0 | 112.7 | I970 Y978 I982 L1022 T1025 T1026 Y1042 R1043 L1049 A1050 | I970-L1046 HydrophobicContact CD1-CB 4.48Å; I970-L1046 HydrophobicContact CG2-CD1 4.37Å; Y978-L1046 HydrophobicContact CD2-CD1 3.63Å; Y978-L1046 HydrophobicContact CE2-CD1 4.01Å; Y978-L1046 HydrophobicContact CG-CD1 4.27Å; I982-L1046 HydrophobicContact CD1-CD2 4.12Å; L1022-L1046 HydrophobicContact CD1-CD2 3.72Å; T1025-L1046 HydrophobicContact CG2-CD2 3.65Å; T1025-L1046 HydrophobicContact CG2-CG 4.19Å; T1026-L1046 WeakPolarHBondContact OG1-CD2 3.38Å; Y1042-L1046 HydrophobicContact CD1-CD1 4.21Å; Y1042-L1046 HydrophobicContact CE1-CD1 3.37Å; Y1042-L1046 HydrophobicContact CE1-CG 3.85Å; Y1042-L1046 HydrophobicContact CE2-CG 4.41Å; Y1042-L1046 PolarHBondContact O-N 3.44Å; Y1042-L1046 WeakPolarHBondContact OH-CD1 3.45Å; R1043-L1046 PolarHBondContact O-N 3.46Å; L1046-L1049 PolarHBondContact O-N 3.05Å; L1046-A1050 WeakPolarHBondContact O-CB 3.28Å; L1046-A1050 PolarHBondContact O-N 3.15Å |
| 1047 | M | 80.2 | Confident | 75.4 | Confident | 28 Ų | 28 | 50.5 Ų | 50.5 | 14% | 0.138 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 177.8 | -75.6 | -171.2 | -80 | 0 | 0 | 112 | I970 I971 R1043 R1044 H1045 A1050 Y1051 | I970-M1047 HydrophobicContact CG2-CG 4.4Å; I971-M1047 HydrophobicContact CD1-CE 4.16Å; I971-M1047 HydrophobicContact CD1-SD 3.84Å; I971-M1047 HydrophobicContact CG1-CE 3.79Å; I971-M1047 HydrophobicContact CG1-SD 3.77Å; R1043-M1047 HydrophobicContact CB-CE 4.39Å; R1043-M1047 WeakPolarHBondContact O-CG 3.46Å; R1043-M1047 PolarHBondContact O-N 3.34Å; R1044-M1047 PolarHBondContact O-N 3.1Å; H1045-M1047 VanDerWaalsContact C-N 3.35Å; H1045-M1047 PolarHBondContact O-N 3.31Å; M1047-A1050 PolarHBondContact O-N 3.15Å; M1047-Y1051 HydrophobicContact CB-CE2 4.38Å; M1047-Y1051 WeakPolarHBondContact O-CD2 3.39Å; M1047-Y1051 PolarHBondContact O-N 3.12Å |
| 1048 | S | 77.3 | Confident | 76.3 | Confident | 68 Ų | 68 | 49.8 Ų | 49.8 | 48% | 0.476 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 175.3 | -165.3 | 0 | 0 | 0 | 0 | 111.8 | R1044 H1045 A1050 Y1051 A1052 | R1044-S1048 WeakPolarHBondContact O-CB 3.4Å; R1044-S1048 PolarHBondContact O-N 3.07Å; H1045-S1048 WeakPolarHBondContact O-CB 3.48Å; H1045-S1048 PolarHBondContact O-N 3.43Å; S1048-A1050 PolarHBondContact O-N 3.24Å; S1048-Y1051 PolarHBondContact O-N 3.22Å; S1048-A1052 PolarHBondContact O-N 3.21Å |
| 1049 | L | 81 | Confident | 77 | Confident | 31 Ų | 31 | 47 Ų | 47 | 16% | 0.162 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.2 | -38.7 | 176.3 | -67.8 | 172.1 | 0 | 0 | 0 | 112.4 | L1022 T1025 H1045 L1046 A1052 I1053 | L1022-L1049 HydrophobicContact CB-CB 4.26Å; L1022-L1049 HydrophobicContact CD1-CB 3.81Å; T1025-L1049 HydrophobicContact CG2-CD1 4.04Å; T1025-L1049 WeakPolarHBondContact OG1-CD1 3.33Å; H1045-L1049 WeakPolarHBondContact O-CG 3.41Å; H1045-L1049 PolarHBondContact O-N 2.92Å; L1046-L1049 PolarHBondContact O-N 3.05Å; L1049-A1052 WeakPolarHBondContact O-CB 3.5Å; L1049-A1052 PolarHBondContact O-N 2.79Å; L1049-I1053 PolarHBondContact O-N 2.92Å |
| 1050 | A | 79.7 | Confident | 77.6 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.2 | -40.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V963 I985 L1022 L1046 M1047 S1048 A1052 I1053 A1054 | V963-A1050 HydrophobicContact CG1-CB 4.22Å; V963-A1050 WeakPolarHBondContact CG1-O 3.46Å; V963-A1050 WeakPolarHBondContact CG2-O 3.37Å; I985-A1050 HydrophobicContact CD1-CB 4.34Å; L1022-A1050 HydrophobicContact CD1-CB 4.49Å; L1022-A1050 HydrophobicContact CD2-CB 4.26Å; L1046-A1050 WeakPolarHBondContact O-CB 3.28Å; L1046-A1050 PolarHBondContact O-N 3.15Å; M1047-A1050 PolarHBondContact O-N 3.15Å; S1048-A1050 PolarHBondContact O-N 3.24Å; A1050-A1052 VanDerWaalsContact C-N 3.35Å; A1050-I1053 WeakPolarHBondContact O-CB 3.42Å; A1050-I1053 PolarHBondContact O-N 3.43Å; A1050-A1054 PolarHBondContact O-N 3.14Å |
| 1051 | Y | 75 | Confident | 78.2 | Confident | 109 Ų | 109 | 44.4 Ų | 44.4 | 43% | 0.427 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -69.5 | -28.7 | 175.5 | -74 | -58.8 | 0 | 0 | 0 | 113.4 | V963 S967 M1047 S1048 A1054 A1055 | V963-Y1051 HydrophobicContact CG1-CD1 3.99Å; V963-Y1051 HydrophobicContact CG1-CE1 4.31Å; S967-Y1051 PolarHBondContact OG-OH 2.97Å; M1047-Y1051 HydrophobicContact CB-CE2 4.38Å; M1047-Y1051 WeakPolarHBondContact O-CD2 3.39Å; M1047-Y1051 PolarHBondContact O-N 3.12Å; S1048-Y1051 PolarHBondContact O-N 3.22Å; Y1051-A1054 PolarHBondContact O-N 3.27Å; Y1051-A1055 PolarHBondContact O-N 2.65Å; Y1051-A1055 VanDerWaalsContact O-N 3.16Å |
| 1052 | A | 75.8 | Confident | 78.6 | Confident | 33 Ų | 33 | 42.1 Ų | 42.1 | 27% | 0.273 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.3 | -44.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1048 L1049 A1050 A1054 A1055 D1056 | S1048-A1052 PolarHBondContact O-N 3.21Å; L1049-A1052 WeakPolarHBondContact O-CB 3.5Å; L1049-A1052 PolarHBondContact O-N 2.79Å; A1050-A1052 VanDerWaalsContact C-N 3.35Å; A1052-A1054 VanDerWaalsContact C-N 3.3Å; A1052-A1054 PolarHBondContact O-N 3.22Å; A1052-A1055 WeakPolarHBondContact O-CB 2.76Å; A1052-A1055 PolarHBondContact O-N 3.05Å; A1052-D1056 PolarHBondContact O-N 3.1Å |
| 1053 | I | 79 | Confident | 78.6 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.7 | -41.2 | 175.2 | -65.7 | 171.3 | 0 | 0 | 0 | 112.1 | V959 V963 I985 I989 L1015 M1019 L1022 L1049 A1050 A1055 D1056 A1057 | V959-I1053 HydrophobicContact CG1-CG2 4.08Å; V963-I1053 HydrophobicContact CG2-CB 4.48Å; V963-I1053 HydrophobicContact CG2-CG2 4.27Å; I985-I1053 HydrophobicContact CG2-CD1 4.04Å; I985-I1053 HydrophobicContact CG2-CG2 3.87Å; I989-I1053 HydrophobicContact CD1-CG2 3.66Å; I989-I1053 HydrophobicContact CG1-CG2 4.22Å; L1015-I1053 HydrophobicContact CD1-CB 4.45Å; L1015-I1053 HydrophobicContact CD1-CG2 3.8Å; L1015-I1053 WeakPolarHBondContact CD1-O 3.39Å; M1019-I1053 HydrophobicContact CB-CD1 4.29Å; M1019-I1053 HydrophobicContact SD-CD1 3.7Å; L1022-I1053 HydrophobicContact CB-CD1 4.06Å; L1022-I1053 HydrophobicContact CD2-CD1 3.48Å; L1022-I1053 VanDerWaalsContact CD2-CD1 3.48Å; L1022-I1053 HydrophobicContact CG-CD1 4.41Å; L1049-I1053 PolarHBondContact O-N 2.92Å; A1050-I1053 WeakPolarHBondContact O-CB 3.42Å; A1050-I1053 PolarHBondContact O-N 3.43Å; I1053-A1055 VanDerWaalsContact C-N 3.34Å; I1053-A1055 PolarHBondContact O-N 3.16Å; I1053-D1056 PolarHBondContact O-N 3.07Å; I1053-A1057 VanDerWaalsContact O-CB 3.32Å; I1053-A1057 WeakPolarHBondContact O-CB 3.46Å; I1053-A1057 PolarHBondContact O-N 3.28Å |
| 1054 | A | 78 | Confident | 78.5 | Confident | 14 Ų | 14 | 39.9 Ų | 39.9 | 12% | 0.116 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.2 | -34.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V960 V963 A1050 Y1051 A1052 N1058 | V960-A1054 HydrophobicContact CG2-CB 4.19Å; V963-A1054 HydrophobicContact CB-CB 4.18Å; V963-A1054 HydrophobicContact CG1-CB 3.95Å; V963-A1054 HydrophobicContact CG2-CB 4.23Å; A1050-A1054 PolarHBondContact O-N 3.14Å; Y1051-A1054 PolarHBondContact O-N 3.27Å; A1052-A1054 VanDerWaalsContact C-N 3.3Å; A1052-A1054 PolarHBondContact O-N 3.22Å; A1054-N1058 PolarHBondContact O-N 3Å |
| 1055 | A | 70.9 | Confident | 78.6 | Confident | 60 Ų | 60 | 40.9 Ų | 40.9 | 50% | 0.496 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -71.1 | -44.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y1051 A1052 I1053 N1058 S1059 | Y1051-A1055 PolarHBondContact O-N 2.65Å; Y1051-A1055 VanDerWaalsContact O-N 3.16Å; A1052-A1055 WeakPolarHBondContact O-CB 2.76Å; A1052-A1055 PolarHBondContact O-N 3.05Å; I1053-A1055 VanDerWaalsContact C-N 3.34Å; I1053-A1055 PolarHBondContact O-N 3.16Å; A1055-N1058 PolarHBondContact O-N 3.36Å; A1055-S1059 PolarHBondContact O-N 3.46Å |
| 1056 | D | 76.7 | Confident | 78.3 | Confident | 20 Ų | 20 | 41.4 Ų | 41.4 | 11% | 0.107 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.8 | -40.9 | 178 | -70.7 | -30.9 | 0 | 0 | 0 | 111.9 | Q1014 L1015 S1018 A1052 I1053 N1058 S1059 L1060 | Q1014-D1056 PolarHBondContact NE2-OD1 3.37Å; L1015-D1056 HydrophobicContact CB-CB 4.29Å; L1015-D1056 HydrophobicContact CD1-CB 3.79Å; S1018-D1056 WeakPolarHBondContact CB-OD2 3.31Å; S1018-D1056 PolarHBondContact OG-OD2 3.05Å; A1052-D1056 PolarHBondContact O-N 3.1Å; I1053-D1056 PolarHBondContact O-N 3.07Å; D1056-N1058 VanDerWaalsContact C-N 3.33Å; D1056-N1058 PolarHBondContact O-N 2.96Å; D1056-S1059 CarbonylContact O-C 3.27Å; D1056-S1059 WeakPolarHBondContact O-CB 3.31Å; D1056-S1059 PolarHBondContact O-N 3.46Å; D1056-S1059 VanDerWaalsContact O-N 3.14Å; D1056-L1060 WeakPolarHBondContact O-CB 3.47Å; D1056-L1060 PolarHBondContact O-N 2.98Å |
| 1057 | A | 78.1 | Confident | 78.1 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.2 | -39.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | T956 V959 L992 L1015 I1053 L1060 Y1061 | T956-A1057 HydrophobicContact CG2-CB 4.35Å; V959-A1057 HydrophobicContact CB-CB 4.2Å; V959-A1057 HydrophobicContact CG1-CB 3.81Å; L992-A1057 HydrophobicContact CD2-CB 4.04Å; L1015-A1057 HydrophobicContact CD1-CB 4.18Å; L1015-A1057 HydrophobicContact CD2-CB 4.23Å; I1053-A1057 VanDerWaalsContact O-CB 3.32Å; I1053-A1057 WeakPolarHBondContact O-CB 3.46Å; I1053-A1057 PolarHBondContact O-N 3.28Å; A1057-L1060 PolarHBondContact O-N 2.63Å; A1057-Y1061 PolarHBondContact O-N 3.23Å |
| 1058 | N | 77.8 | Confident | 77.9 | Confident | 87 Ų | 87 | 44.2 Ų | 44.2 | 47% | 0.465 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -69.2 | -33.5 | 173.6 | -173.5 | 87.8 | 0 | 0 | 0 | 112.5 | A1054 A1055 D1056 T1062 | A1054-N1058 PolarHBondContact O-N 3Å; A1055-N1058 PolarHBondContact O-N 3.36Å; D1056-N1058 VanDerWaalsContact C-N 3.33Å; D1056-N1058 PolarHBondContact O-N 2.96Å; N1058-T1062 WeakPolarHBondContact O-CB 3.47Å; N1058-T1062 PolarHBondContact O-N 3.4Å; N1058-T1062 PolarHBondContact O-OG1 3.18Å |
| 1059 | S | 75.6 | Confident | 77.1 | Confident | 47 Ų | 47 | 45.5 Ų | 45.5 | 33% | 0.329 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.7 | -39.7 | 173.1 | -166.4 | 0 | 0 | 0 | 0 | 111.7 | A1055 D1056 T1062 T1063 | A1055-S1059 PolarHBondContact O-N 3.46Å; D1056-S1059 CarbonylContact O-C 3.27Å; D1056-S1059 WeakPolarHBondContact O-CB 3.31Å; D1056-S1059 PolarHBondContact O-N 3.46Å; D1056-S1059 VanDerWaalsContact O-N 3.14Å; S1059-T1062 PolarHBondContact O-N 2.96Å; S1059-T1063 WeakPolarHBondContact O-CB 3.25Å; S1059-T1063 PolarHBondContact O-N 2.7Å; S1059-T1063 PolarHBondContact O-OG1 3.13Å |
| 1060 | L | 83.4 | Confident | 75.8 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 173.9 | 175.3 | 59.5 | 0 | 0 | 0 | 111 | L992 F993 I996 I1008 A1011 E1012 L1015 D1056 A1057 T1062 T1063 V1064 | L992-L1060 HydrophobicContact CD2-CD2 4.11Å; L992-L1060 HydrophobicContact CG-CD2 4.39Å; F993-L1060 HydrophobicContact CD1-CD2 4.21Å; F993-L1060 HydrophobicContact CE1-CD2 3.79Å; I996-L1060 HydrophobicContact CD1-CD1 4Å; I996-L1060 HydrophobicContact CD1-CD2 3.66Å; I996-L1060 HydrophobicContact CD1-CG 3.75Å; I1008-L1060 HydrophobicContact CG2-CD1 4.17Å; A1011-L1060 HydrophobicContact CB-CB 4.24Å; A1011-L1060 HydrophobicContact CB-CD1 3.64Å; E1012-L1060 HydrophobicContact CG-CD1 3.76Å; E1012-L1060 HydrophobicContact CG-CD2 4.04Å; L1015-L1060 HydrophobicContact CD2-CD2 3.75Å; D1056-L1060 WeakPolarHBondContact O-CB 3.47Å; D1056-L1060 PolarHBondContact O-N 2.98Å; A1057-L1060 PolarHBondContact O-N 2.63Å; L1060-T1062 VanDerWaalsContact C-N 3.32Å; L1060-T1062 PolarHBondContact O-N 3.22Å; L1060-T1063 WeakPolarHBondContact O-CB 3.46Å; L1060-T1063 PolarHBondContact O-N 3.48Å; L1060-T1063 VanDerWaalsContact O-N 3.16Å; L1060-V1064 HydrophobicContact CD1-CG2 4.41Å; L1060-V1064 WeakPolarHBondContact O-CG2 3.19Å; L1060-V1064 PolarHBondContact O-N 3.39Å |
| 1061 | Y | 82.1 | Confident | 75.6 | Confident | 39 Ų | 39 | 56.2 Ų | 56.2 | 15% | 0.153 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.1 | -44.2 | 173 | 170.7 | -108.7 | 0 | 0 | 0 | 112.6 | D950 V952 F953 A1057 T1063 V1064 Y1065 | D950-Y1061 WeakPolarHBondContact OD2-CE2 3.44Å; V952-Y1061 HydrophobicContact CG1-CD2 4.2Å; F953-Y1061 HydrophobicContact CB-CD2 4.25Å; F953-Y1061 HydrophobicContact CB-CE2 3.64Å; F953-Y1061 HydrophobicContact CD2-CD1 4.33Å; F953-Y1061 HydrophobicContact CD2-CD2 4.49Å; F953-Y1061 AromaticContact CD2-CE1 3.8Å; F953-Y1061 HydrophobicContact CD2-CE1 3.8Å; F953-Y1061 AromaticContact CD2-CE2 3.99Å; F953-Y1061 HydrophobicContact CD2-CE2 3.99Å; F953-Y1061 AromaticContact CD2-CZ 3.63Å; F953-Y1061 HydrophobicContact CE2-CE1 4.4Å; F953-Y1061 HydrophobicContact CG-CE2 4.3Å; A1057-Y1061 PolarHBondContact O-N 3.23Å; Y1061-T1063 VanDerWaalsContact C-N 3.33Å; Y1061-T1063 PolarHBondContact O-N 2.98Å; Y1061-V1064 PolarHBondContact O-N 3.03Å; Y1061-Y1065 WeakPolarHBondContact O-CB 3.5Å; Y1061-Y1065 PolarHBondContact O-N 3.17Å |
| 1062 | T | 76.9 | Confident | 75.6 | Confident | 57 Ų | 57 | 53.4 Ų | 53.4 | 35% | 0.35 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 177.4 | -54.6 | 0 | 0 | 0 | 0 | 110.7 | N1058 S1059 L1060 V1064 Y1065 E1066 | N1058-T1062 WeakPolarHBondContact O-CB 3.47Å; N1058-T1062 PolarHBondContact O-N 3.4Å; N1058-T1062 PolarHBondContact O-OG1 3.18Å; S1059-T1062 PolarHBondContact O-N 2.96Å; L1060-T1062 VanDerWaalsContact C-N 3.32Å; L1060-T1062 PolarHBondContact O-N 3.22Å; T1062-V1064 PolarHBondContact O-N 2.8Å; T1062-Y1065 PolarHBondContact O-N 3.04Å; T1062-E1066 WeakPolarHBondContact O-CB 3.35Å; T1062-E1066 WeakPolarHBondContact O-CG 3.23Å; T1062-E1066 PolarHBondContact O-N 2.92Å |
| 1063 | T | 79.1 | Confident | 75.6 | Confident | 25 Ų | 25 | 54.5 Ų | 54.5 | 15% | 0.153 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.8 | -38.1 | 176.3 | -53.7 | 0 | 0 | 0 | 0 | 112.2 | I1008 A1011 S1059 L1060 Y1061 N1067 | I1008-T1063 HydrophobicContact CG1-CG2 4.3Å; A1011-T1063 HydrophobicContact CB-CG2 4.42Å; S1059-T1063 WeakPolarHBondContact O-CB 3.25Å; S1059-T1063 PolarHBondContact O-N 2.7Å; S1059-T1063 PolarHBondContact O-OG1 3.13Å; L1060-T1063 WeakPolarHBondContact O-CB 3.46Å; L1060-T1063 PolarHBondContact O-N 3.48Å; L1060-T1063 VanDerWaalsContact O-N 3.16Å; Y1061-T1063 VanDerWaalsContact C-N 3.33Å; Y1061-T1063 PolarHBondContact O-N 2.98Å; T1063-N1067 PolarHBondContact O-N 3.08Å; T1063-N1067 PolarHBondContact O-ND2 3.18Å |
| 1064 | V | 80.5 | Confident | 75.4 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.2 | -49.6 | 172.3 | 163.5 | 0 | 0 | 0 | 0 | 110.3 | V952 I996 F1000 I1008 L1060 Y1061 T1062 E1066 N1067 R1068 | V952-V1064 HydrophobicContact CG1-CB 4.5Å; V952-V1064 HydrophobicContact CG1-CG1 4.19Å; V952-V1064 HydrophobicContact CG1-CG2 4.49Å; I996-V1064 HydrophobicContact CD1-CG2 4.02Å; I996-V1064 HydrophobicContact CG1-CG2 4.12Å; I996-V1064 HydrophobicContact CG2-CG2 4.33Å; F1000-V1064 HydrophobicContact CE2-CG1 3.74Å; F1000-V1064 HydrophobicContact CE2-CG2 4.42Å; F1000-V1064 HydrophobicContact CZ-CG1 4.06Å; I1008-V1064 HydrophobicContact CD1-CG2 4.35Å; I1008-V1064 HydrophobicContact CG1-CG2 4.35Å; I1008-V1064 HydrophobicContact CG2-CG2 4.22Å; L1060-V1064 HydrophobicContact CD1-CG2 4.41Å; L1060-V1064 WeakPolarHBondContact O-CG2 3.19Å; L1060-V1064 PolarHBondContact O-N 3.39Å; Y1061-V1064 PolarHBondContact O-N 3.03Å; T1062-V1064 PolarHBondContact O-N 2.8Å; V1064-E1066 VanDerWaalsContact C-N 3.33Å; V1064-E1066 PolarHBondContact O-N 3.12Å; V1064-N1067 CarbonylContact O-C 3.46Å; V1064-N1067 PolarHBondContact O-N 3.27Å; V1064-R1068 HydrophobicContact CG1-CG 4.38Å; V1064-R1068 WeakPolarHBondContact O-CG 3.29Å; V1064-R1068 PolarHBondContact O-N 3.39Å |
| 1065 | Y | 79.9 | Confident | 75.3 | Confident | 142 Ų | 142 | 60.4 Ų | 60.4 | 56% | 0.557 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -58.6 | -41.9 | 179.1 | -171 | -83.5 | 0 | 0 | 0 | 112.4 | Y1061 T1062 N1067 R1068 S1069 | Y1061-Y1065 WeakPolarHBondContact O-CB 3.5Å; Y1061-Y1065 PolarHBondContact O-N 3.17Å; T1062-Y1065 PolarHBondContact O-N 3.04Å; Y1065-N1067 VanDerWaalsContact C-N 3.26Å; Y1065-N1067 PolarHBondContact O-N 3.14Å; Y1065-R1068 PolarHBondContact O-N 2.89Å; Y1065-S1069 PolarHBondContact O-OG 2.57Å |
| 1066 | E | 76.2 | Confident | 75.5 | Confident | 110 Ų | 110 | 60.5 Ų | 60.5 | 51% | 0.514 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.6 | -17.3 | 175.2 | -75.2 | -178.8 | -170.9 | 0 | 0 | 114.5 | T1062 V1064 S1069 K1070 | T1062-E1066 WeakPolarHBondContact O-CB 3.35Å; T1062-E1066 WeakPolarHBondContact O-CG 3.23Å; T1062-E1066 PolarHBondContact O-N 2.92Å; V1064-E1066 VanDerWaalsContact C-N 3.33Å; V1064-E1066 PolarHBondContact O-N 3.12Å; E1066-S1069 PolarHBondContact O-OG 3.24Å; E1066-K1070 WeakPolarHBondContact O-CE 3.48Å; E1066-K1070 PolarHBondContact O-NZ 3.46Å |
| 1067 | N | 76.2 | Confident | 75.5 | Confident | 14 Ų | 14 | 63.4 Ų | 63.4 | 8% | 0.075 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -102 | -19.6 | 176.3 | -74 | -61.8 | 0 | 0 | 0 | 113.5 | T1007 I1008 T1063 V1064 Y1065 S1069 K1070 | T1007-N1067 PolarHBondContact OG1-ND2 3.32Å; I1008-N1067 HydrophobicContact CD1-CB 4.1Å; T1063-N1067 PolarHBondContact O-N 3.08Å; T1063-N1067 PolarHBondContact O-ND2 3.18Å; V1064-N1067 CarbonylContact O-C 3.46Å; V1064-N1067 PolarHBondContact O-N 3.27Å; Y1065-N1067 VanDerWaalsContact C-N 3.26Å; Y1065-N1067 PolarHBondContact O-N 3.14Å; N1067-S1069 PolarHBondContact O-N 3.4Å; N1067-K1070 PolarHBondContact O-N 3.27Å; N1067-K1070 PolarHBondContact OD1-NZ 3.47Å |
| 1068 | R | 77 | Confident | 75.3 | Confident | 73 Ų | 73 | 68.2 Ų | 68.2 | 28% | 0.275 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.6 | -21.2 | 166.7 | -73.4 | 176.5 | 177.8 | 161.1 | -6.7 | 113.8 | D950 E999 F1000 V1064 Y1065 | D950-R1068 VanDerWaalsContact CG-NH1 3.33Å; D950-R1068 IonicContact OD1-CZ 2.7Å; D950-R1068 IonicContact OD1-NH1 3.31Å; D950-R1068 IonicContact OD1-NH2 3.42Å; D950-R1068 PolarHBondContact OD1-NH2 3.37Å; D950-R1068 IonicContact OD2-CZ 3.45Å; D950-R1068 IonicContact OD2-NH1 2.67Å; D950-R1068 PolarHBondContact OD2-NH1 3.28Å; D950-R1068 IonicContact OD2-NH2 3.47Å; D950-R1068 PolarHBondContact OD2-NH2 3.42Å; E999-R1068 VanDerWaalsContact CD-NE 3.31Å; E999-R1068 IonicContact OE1-CZ 2.79Å; E999-R1068 IonicContact OE1-NE 3.55Å; E999-R1068 PolarHBondContact OE1-NE 3.38Å; E999-R1068 IonicContact OE1-NH2 2.68Å; E999-R1068 PolarHBondContact OE1-NH2 2.98Å; E999-R1068 IonicContact OE2-CZ 3.5Å; E999-R1068 IonicContact OE2-NE 3.46Å; E999-R1068 PolarHBondContact OE2-NE 2.67Å; E999-R1068 IonicContact OE2-NH2 3.6Å; E999-R1068 PolarHBondContact OE2-NH2 3.07Å; F1000-R1068 HydrophobicContact CZ-CG 3.97Å; V1064-R1068 HydrophobicContact CG1-CG 4.38Å; V1064-R1068 WeakPolarHBondContact O-CG 3.29Å; V1064-R1068 PolarHBondContact O-N 3.39Å; Y1065-R1068 PolarHBondContact O-N 2.89Å |
| 1069 | S | 60.2 | Low | 75.1 | Confident | 94 Ų | 94 | 66.7 Ų | 66.7 | 66% | 0.657 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | 23.8 | 179.5 | 53 | 0 | 0 | 0 | 0 | 113.2 | Y1065 E1066 N1067 | Y1065-S1069 PolarHBondContact O-OG 2.57Å; E1066-S1069 PolarHBondContact O-OG 3.24Å; N1067-S1069 PolarHBondContact O-N 3.4Å |
| 1070 | K | 53.7 | Low | 75 | Confident | 199 Ų | 199 | 68.5 Ų | 68.5 | 87% | 0.865 | 33% | 0.327 | S | S | * | . | trans | -133.7 | 0 | 178 | -62.9 | 176.2 | -166.9 | 149.4 | 0 | 110 | E1066 N1067 | E1066-K1070 WeakPolarHBondContact O-CE 3.48Å; E1066-K1070 PolarHBondContact O-NZ 3.46Å; N1067-K1070 PolarHBondContact O-N 3.27Å; N1067-K1070 PolarHBondContact OD1-NZ 3.47Å |
Retrieved 1,070 of 1,070 residues in 269.4 ms
(Link to these results)